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

272
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

literature stripe

Patent stripe

patents stripe