CID 43163090

1-acetamido-4-methylcyclohexane-1-carboxylic acid

Structural Information

Molecular Formula
C10H17NO3
SMILES
CC1CCC(CC1)(C(=O)O)NC(=O)C
InChI
InChI=1S/C10H17NO3/c1-7-3-5-10(6-4-7,9(13)14)11-8(2)12/h7H,3-6H2,1-2H3,(H,11,12)(H,13,14)
InChIKey
JPJANBPGVXZDAY-UHFFFAOYSA-N
Compound name
1-acetamido-4-methylcyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.12085 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.12813 145.7
[M+Na]+ 222.11007 153.3
[M+NH4]+ 217.15467 153.6
[M+K]+ 238.08401 147.8
[M-H]- 198.11357 145.7
[M+Na-2H]- 220.09552 149.6
[M]+ 199.12030 146.4
[M]- 199.12140 146.4
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

No patent data available for this compound.