CID 192796

11-cyclohexylundecanoic acid

Structural Information

Molecular Formula
C17H32O2
SMILES
C1CCC(CC1)CCCCCCCCCCC(=O)O
InChI
InChI=1S/C17H32O2/c18-17(19)15-11-6-4-2-1-3-5-8-12-16-13-9-7-10-14-16/h16H,1-15H2,(H,18,19)
InChIKey
WFTPSUGFEZHCGU-UHFFFAOYSA-N
Compound name
11-cyclohexylundecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

103
Patents

268.24023 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.24751 171.1
[M+Na]+ 291.22945 178.9
[M+NH4]+ 286.27405 177.9
[M+K]+ 307.20339 171.5
[M-H]- 267.23295 171.6
[M+Na-2H]- 289.21490 173.0
[M]+ 268.23968 172.0
[M]- 268.24078 172.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe