CID 19373196

1-carbamoylcyclohexane-1-carboxylic acid

Structural Information

Molecular Formula
C8H13NO3
SMILES
C1CCC(CC1)(C(=O)N)C(=O)O
InChI
InChI=1S/C8H13NO3/c9-6(10)8(7(11)12)4-2-1-3-5-8/h1-5H2,(H2,9,10)(H,11,12)
InChIKey
JBZXNOYXRHIMNB-UHFFFAOYSA-N
Compound name
1-carbamoylcyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

202
Patents

171.08954 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.09682 137.1
[M+Na]+ 194.07876 141.5
[M-H]- 170.08226 138.2
[M+NH4]+ 189.12336 157.5
[M+K]+ 210.05270 140.7
[M+H-H2O]+ 154.08680 132.5
[M+HCOO]- 216.08774 155.5
[M+CH3COO]- 230.10339 176.8
[M+Na-2H]- 192.06421 140.3
[M]+ 171.08899 130.7
[M]- 171.09009 130.7
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