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

3
Patents

200.11609 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.12337 144.6
[M+Na]+ 223.10531 146.7
[M-H]- 199.10881 145.6
[M+NH4]+ 218.14991 161.7
[M+K]+ 239.07925 145.9
[M+H-H2O]+ 183.11335 138.1
[M+HCOO]- 245.11429 164.3
[M+CH3COO]- 259.12994 184.7
[M+Na-2H]- 221.09076 147.4
[M]+ 200.11554 138.2
[M]- 200.11664 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