CID 14788214

4-acetamidocyclohexane-1-carboxylic acid

Structural Information

Molecular Formula
C9H15NO3
SMILES
CC(=O)NC1CCC(CC1)C(=O)O
InChI
InChI=1S/C9H15NO3/c1-6(11)10-8-4-2-7(3-5-8)9(12)13/h7-8H,2-5H2,1H3,(H,10,11)(H,12,13)
InChIKey
RQFVEAIRYQPUCC-UHFFFAOYSA-N
Compound name
4-acetamidocyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

185.1052 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.112476 140.8
[M+Na]+ 208.094418 144.7
[M-H]- 184.097924 142.3
[M+NH4]+ 203.139023 159.2
[M+K]+ 224.068358 143.9
[M+H-H2O]+ 168.102460 135.2
[M+HCOO]- 230.103401 159.5
[M+CH3COO]- 244.119051 181.4
[M+Na-2H]- 206.079866 142.6
[M]+ 185.10465142 135.7
[M]- 185.10574858 135.7
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