CID 112991

Glycine, n-[(butylamino)carbonyl]-

Structural Information

Molecular Formula
C7H14N2O3
SMILES
CCCCNC(=O)NCC(=O)O
InChI
InChI=1S/C7H14N2O3/c1-2-3-4-8-7(12)9-5-6(10)11/h2-5H2,1H3,(H,10,11)(H2,8,9,12)
InChIKey
KGWHMDCQVDMTNZ-UHFFFAOYSA-N
Compound name
2-(butylcarbamoylamino)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

335
Patents

174.10045 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.10773 139.1
[M+Na]+ 197.08967 143.8
[M-H]- 173.09317 137.8
[M+NH4]+ 192.13427 157.9
[M+K]+ 213.06361 143.5
[M+H-H2O]+ 157.09771 133.4
[M+HCOO]- 219.09865 162.2
[M+CH3COO]- 233.11430 182.0
[M+Na-2H]- 195.07512 142.9
[M]+ 174.09990 138.6
[M]- 174.10100 138.6
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

No patent data available for this compound.