CID 6441745

68443-39-0

Structural Information

Molecular Formula
C18H32O3
SMILES
CCCCCCC1C(O1)/C=C/CCCCCCCC(=O)O
InChI
InChI=1S/C18H32O3/c1-2-3-4-10-13-16-17(21-16)14-11-8-6-5-7-9-12-15-18(19)20/h11,14,16-17H,2-10,12-13,15H2,1H3,(H,19,20)/b14-11+
InChIKey
NCBVCZKRENJKAR-SDNWHVSQSA-N
Compound name
(E)-10-(3-hexyloxiran-2-yl)dec-9-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.23514 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.24242 175.4
[M+Na]+ 319.22436 180.7
[M-H]- 295.22786 177.8
[M+NH4]+ 314.26896 184.6
[M+K]+ 335.19830 176.7
[M+H-H2O]+ 279.23240 168.0
[M+HCOO]- 341.23334 193.4
[M+CH3COO]- 355.24899 206.7
[M+Na-2H]- 317.20981 175.8
[M]+ 296.23459 183.7
[M]- 296.23569 183.7
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.