CID 56935940

Myristoleyl stearate

Structural Information

Molecular Formula
C32H62O2
SMILES
CCCCCCCCCCCCCCCCCC(=O)OCCCCCCCC/C=C\CCCC
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/h10,12H,3-9,11,13-31H2,1-2H3/b12-10-
InChIKey
RPKOMLKWGJALOO-BENRWUELSA-N
Compound name
[(Z)-tetradec-9-enyl] octadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
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

No literature data available for this compound.

Patent stripe

patents stripe