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

193
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 137.7
[M+Na]+ 194.07876 145.0
[M+NH4]+ 189.12336 145.7
[M+K]+ 210.05270 140.0
[M-H]- 170.08226 137.5
[M+Na-2H]- 192.06421 141.8
[M]+ 171.08899 138.2
[M]- 171.09009 138.2
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