CID 297706

101564-26-5

Structural Information

Molecular Formula
C16H30O2
SMILES
CCCCCCCCCC1CCC(CC1)C(=O)O
InChI
InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-14-10-12-15(13-11-14)16(17)18/h14-15H,2-13H2,1H3,(H,17,18)
InChIKey
ZSIQDVRFEYRRQX-UHFFFAOYSA-N
Compound name
4-nonylcyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

254.22458 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.231856 167.0
[M+Na]+ 277.213798 168.7
[M-H]- 253.217304 167.1
[M+NH4]+ 272.258403 183.1
[M+K]+ 293.187738 165.7
[M+H-H2O]+ 237.221840 160.5
[M+HCOO]- 299.222781 182.9
[M+CH3COO]- 313.238431 196.1
[M+Na-2H]- 275.199246 165.9
[M]+ 254.22403142 165.1
[M]- 254.22512858 165.1
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

patents stripe