CID 4149241

N-[(cyclohexylamino)carbonyl]glycine

Structural Information

Molecular Formula
C9H16N2O3
SMILES
C1CCC(CC1)NC(=O)NCC(=O)O
InChI
InChI=1S/C9H16N2O3/c12-8(13)6-10-9(14)11-7-4-2-1-3-5-7/h7H,1-6H2,(H,12,13)(H2,10,11,14)
InChIKey
NVORCMBCUHQRDL-UHFFFAOYSA-N
Compound name
2-(cyclohexylcarbamoylamino)acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

5
Patents

200.11609 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.123366 144.6
[M+Na]+ 223.105308 146.7
[M-H]- 199.108814 145.6
[M+NH4]+ 218.149913 161.7
[M+K]+ 239.079248 145.9
[M+H-H2O]+ 183.113350 138.1
[M+HCOO]- 245.114291 164.3
[M+CH3COO]- 259.129941 184.7
[M+Na-2H]- 221.090756 147.4
[M]+ 200.11554142 138.2
[M]- 200.11663858 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

literature stripe

Patent stripe

patents stripe