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

256
Patents

171.08954 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.096816 137.1
[M+Na]+ 194.078758 141.5
[M-H]- 170.082264 138.2
[M+NH4]+ 189.123363 157.5
[M+K]+ 210.052698 140.7
[M+H-H2O]+ 154.086800 132.5
[M+HCOO]- 216.087741 155.5
[M+CH3COO]- 230.103391 176.8
[M+Na-2H]- 192.064206 140.3
[M]+ 171.08899142 130.7
[M]- 171.09008858 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