CID 45792187

4-(carbamoylamino)cyclohexane-1-carboxylic acid

Structural Information

Molecular Formula
C8H14N2O3
SMILES
C1CC(CCC1C(=O)O)NC(=O)N
InChI
InChI=1S/C8H14N2O3/c9-8(13)10-6-3-1-5(2-4-6)7(11)12/h5-6H,1-4H2,(H,11,12)(H3,9,10,13)
InChIKey
DRGYUAHMQCQWQJ-UHFFFAOYSA-N
Compound name
4-(carbamoylamino)cyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

186.10045 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.10773 140.7
[M+Na]+ 209.08967 147.0
[M+NH4]+ 204.13427 146.8
[M+K]+ 225.06361 144.3
[M-H]- 185.09317 140.8
[M+Na-2H]- 207.07512 142.6
[M]+ 186.09990 140.9
[M]- 186.10100 140.9
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