CID 52922010

Nonadecyl palmitoleate

Structural Information

Molecular Formula
C35H68O2
SMILES
CCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCC/C=C\CCCCCC
InChI
InChI=1S/C35H68O2/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-37-35(36)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h14,16H,3-13,15,17-34H2,1-2H3/b16-14-
InChIKey
WXQHUMPNDUOZPR-PEZBUJJGSA-N
Compound name
nonadecyl (Z)-hexadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

520.5219 Da
Monoisotopic Mass

15.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 521.52918 248.4
[M+Na]+ 543.51112 254.6
[M-H]- 519.51462 229.8
[M+NH4]+ 538.55572 247.1
[M+K]+ 559.48506 254.9
[M+H-H2O]+ 503.51916 248.1
[M+HCOO]- 565.52010 256.7
[M+CH3COO]- 579.53575 254.5
[M+Na-2H]- 541.49657 233.0
[M]+ 520.52135 249.1
[M]- 520.52245 249.1
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.