CID 86181572

9-cycloheptylnonanoic acid

Structural Information

Molecular Formula
C16H30O2
SMILES
C1CCCC(CC1)CCCCCCCCC(=O)O
InChI
InChI=1S/C16H30O2/c17-16(18)14-10-4-2-1-3-7-11-15-12-8-5-6-9-13-15/h15H,1-14H2,(H,17,18)
InChIKey
UQBKDOGXRBMFLK-UHFFFAOYSA-N
Compound name
9-cycloheptylnonanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

254.22458 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.231856 160.3
[M+Na]+ 277.213798 159.4
[M-H]- 253.217304 161.3
[M+NH4]+ 272.258403 174.9
[M+K]+ 293.187738 161.0
[M+H-H2O]+ 237.221840 154.5
[M+HCOO]- 299.222781 175.8
[M+CH3COO]- 313.238431 195.9
[M+Na-2H]- 275.199246 160.1
[M]+ 254.22403142 155.1
[M]- 254.22512858 155.1
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