CID 15820840

13-cyclopentyltridecanoic acid

Structural Information

Molecular Formula
C18H34O2
SMILES
C1CCC(C1)CCCCCCCCCCCCC(=O)O
InChI
InChI=1S/C18H34O2/c19-18(20)16-10-8-6-4-2-1-3-5-7-9-13-17-14-11-12-15-17/h17H,1-16H2,(H,19,20)
InChIKey
GPWJVXHWELIFNF-UHFFFAOYSA-N
Compound name
13-cyclopentyltridecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

282.2559 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.26318 178.2
[M+Na]+ 305.24512 179.1
[M-H]- 281.24862 177.8
[M+NH4]+ 300.28972 194.7
[M+K]+ 321.21906 175.4
[M+H-H2O]+ 265.25316 171.3
[M+HCOO]- 327.25410 195.6
[M+CH3COO]- 341.26975 200.6
[M+Na-2H]- 303.23057 175.4
[M]+ 282.25535 178.8
[M]- 282.25645 178.8
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

No patent data available for this compound.