CID 5365034

Myristyl oleate

Structural Information

Molecular Formula
C32H62O2
SMILES
CCCCCCCCCCCCCCOC(=O)CCCCCCC/C=C\CCCCCCCC
InChI
InChI=1S/C32H62O2/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32(33)34-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h17-18H,3-16,19-31H2,1-2H3/b18-17-
InChIKey
DHZWALZKPWZSMA-ZCXUNETKSA-N
Compound name
tetradecyl (Z)-octadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

4133
Patents

478.47498 Da
Monoisotopic Mass

14.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 479.48226 238.7
[M+Na]+ 501.46420 244.5
[M-H]- 477.46770 220.4
[M+NH4]+ 496.50880 236.6
[M+K]+ 517.43814 228.8
[M+H-H2O]+ 461.47224 229.4
[M+HCOO]- 523.47318 247.3
[M+CH3COO]- 537.48883 246.0
[M+Na-2H]- 499.44965 230.9
[M]+ 478.47443 238.8
[M]- 478.47553 238.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe