CID 168007573

Iwybfcqygwqgdw-deqzjplvsa-n

Structural Information

Molecular Formula
C18H28O3
SMILES
C/C=C/[C@@H]1C[C@H]2[C@@H]([C@H]1/C=C\CCCCCCCC(=O)O)O2
InChI
InChI=1S/C18H28O3/c1-2-10-14-13-16-18(21-16)15(14)11-8-6-4-3-5-7-9-12-17(19)20/h2,8,10-11,14-16,18H,3-7,9,12-13H2,1H3,(H,19,20)/b10-2+,11-8-/t14-,15+,16+,18-/m1/s1
InChIKey
IWYBFCQYGWQGDW-DEQZJPLVSA-N
Compound name
(Z)-10-[(1R,2S,3S,5S)-3-[(E)-prop-1-enyl]-6-oxabicyclo[3.1.0]hexan-2-yl]dec-9-enoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

292.20386 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.21114 172.7
[M+Na]+ 315.19308 179.4
[M-H]- 291.19658 176.0
[M+NH4]+ 310.23768 184.7
[M+K]+ 331.16702 174.1
[M+H-H2O]+ 275.20112 166.8
[M+HCOO]- 337.20206 189.5
[M+CH3COO]- 351.21771 204.4
[M+Na-2H]- 313.17853 172.3
[M]+ 292.20331 178.5
[M]- 292.20441 178.5
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.