CID 52922007

Tridecyl palmitoleate

Structural Information

Molecular Formula
C29H56O2
SMILES
CCCCCCCCCCCCCOC(=O)CCCCCCC/C=C\CCCCCC
InChI
InChI=1S/C29H56O2/c1-3-5-7-9-11-13-15-16-17-19-21-23-25-27-29(30)31-28-26-24-22-20-18-14-12-10-8-6-4-2/h13,15H,3-12,14,16-28H2,1-2H3/b15-13-
InChIKey
OVEVWLJVQMXLKU-SQFISAMPSA-N
Compound name
tridecyl (Z)-hexadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

436.42804 Da
Monoisotopic Mass

12.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.43532 226.0
[M+Na]+ 459.41726 224.2
[M-H]- 435.42076 222.0
[M+NH4]+ 454.46186 225.9
[M+K]+ 475.39120 218.1
[M+H-H2O]+ 419.42530 217.3
[M+HCOO]- 481.42624 237.6
[M+CH3COO]- 495.44189 237.3
[M+Na-2H]- 457.40271 219.7
[M]+ 436.42749 236.8
[M]- 436.42859 236.8
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