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

18
Patents

254.22458 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.23186 167.0
[M+Na]+ 277.21380 168.7
[M-H]- 253.21730 167.1
[M+NH4]+ 272.25840 183.1
[M+K]+ 293.18774 165.7
[M+H-H2O]+ 237.22184 160.5
[M+HCOO]- 299.22278 182.9
[M+CH3COO]- 313.23843 196.1
[M+Na-2H]- 275.19925 165.9
[M]+ 254.22403 165.1
[M]- 254.22513 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