CID 54175293

W-cycloheptyl-decanoic acid

Structural Information

Molecular Formula
C17H32O2
SMILES
C1CCCC(CC1)CCCCCCCCCC(=O)O
InChI
InChI=1S/C17H32O2/c18-17(19)15-11-5-3-1-2-4-8-12-16-13-9-6-7-10-14-16/h16H,1-15H2,(H,18,19)
InChIKey
OXWPLBIDMFXUJL-UHFFFAOYSA-N
Compound name
10-cycloheptyldecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
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 164.7
[M+Na]+ 291.22945 163.3
[M-H]- 267.23295 165.4
[M+NH4]+ 286.27405 178.7
[M+K]+ 307.20339 164.7
[M+H-H2O]+ 251.23749 158.6
[M+HCOO]- 313.23843 179.8
[M+CH3COO]- 327.25408 198.8
[M+Na-2H]- 289.21490 163.9
[M]+ 268.23968 159.7
[M]- 268.24078 159.7
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