CID 166098072

Tricosyl (z)-octadec-9-enoate

Structural Information

Molecular Formula
C41H80O2
SMILES
CCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCC/C=C\CCCCCCCC
InChI
InChI=1S/C41H80O2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-40-43-41(42)39-37-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h18,25H,3-17,19-24,26-40H2,1-2H3/b25-18-
InChIKey
UABBBMVDSNCCOX-BWAHOGKJSA-N
Compound name
tricosyl (Z)-octadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

604.61584 Da
Monoisotopic Mass

19.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 605.62312 269.0
[M+Na]+ 627.60506 274.1
[M-H]- 603.60856 248.2
[M+NH4]+ 622.64966 267.5
[M+K]+ 643.57900 276.9
[M+H-H2O]+ 587.61310 268.0
[M+HCOO]- 649.61404 275.1
[M+CH3COO]- 663.62969 271.3
[M+Na-2H]- 625.59051 251.0
[M]+ 604.61529 269.2
[M]- 604.61639 269.2
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.