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

36
Patents

185.1052 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.11248 140.8
[M+Na]+ 208.09442 144.7
[M-H]- 184.09792 142.3
[M+NH4]+ 203.13902 159.2
[M+K]+ 224.06836 143.9
[M+H-H2O]+ 168.10246 135.2
[M+HCOO]- 230.10340 159.5
[M+CH3COO]- 244.11905 181.4
[M+Na-2H]- 206.07987 142.6
[M]+ 185.10465 135.7
[M]- 185.10575 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