CID 101563153

(z)-7-[(1r,2s,3s,5s)-3-[(1s,2r)-2-[(1r)-1-hydroxypropyl]cyclopropyl]-6-oxabicyclo[3.1.0]hexan-2-yl]hept-6-enoic acid

Structural Information

Molecular Formula
C18H28O4
SMILES
CC[C@H]([C@@H]1C[C@H]1[C@@H]2C[C@H]3[C@@H]([C@H]2/C=C\CCCCC(=O)O)O3)O
InChI
InChI=1S/C18H28O4/c1-2-15(19)14-9-12(14)13-10-16-18(22-16)11(13)7-5-3-4-6-8-17(20)21/h5,7,11-16,18-19H,2-4,6,8-10H2,1H3,(H,20,21)/b7-5-/t11-,12-,13+,14+,15+,16-,18+/m0/s1
InChIKey
GPMZZMPGGQCIEV-HFOVYDPPSA-N
Compound name
(Z)-7-[(1R,2S,3S,5S)-3-[(1S,2R)-2-[(1R)-1-hydroxypropyl]cyclopropyl]-6-oxabicyclo[3.1.0]hexan-2-yl]hept-6-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.19876 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.20604 172.2
[M+Na]+ 331.18798 177.7
[M-H]- 307.19148 177.4
[M+NH4]+ 326.23258 176.9
[M+K]+ 347.16192 173.3
[M+H-H2O]+ 291.19602 167.5
[M+HCOO]- 353.19696 184.2
[M+CH3COO]- 367.21261 212.6
[M+Na-2H]- 329.17343 169.5
[M]+ 308.19821 178.3
[M]- 308.19931 178.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.