CID 146216432

(2s)-2-amino-4-[(methoxycarbonyl)amino]butanoic acid hydrochloride

Structural Information

Molecular Formula
C6H12N2O4
SMILES
COC(=O)NCC[C@@H](C(=O)O)N
InChI
InChI=1S/C6H12N2O4/c1-12-6(11)8-3-2-4(7)5(9)10/h4H,2-3,7H2,1H3,(H,8,11)(H,9,10)/t4-/m0/s1
InChIKey
FGUNDKQLPBKUQY-BYPYZUCNSA-N
Compound name
(2S)-2-amino-4-(methoxycarbonylamino)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

176.07971 Da
Monoisotopic Mass

-3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.08699 137.8
[M+Na]+ 199.06893 142.6
[M-H]- 175.07243 136.1
[M+NH4]+ 194.11353 156.0
[M+K]+ 215.04287 143.3
[M+H-H2O]+ 159.07697 132.0
[M+HCOO]- 221.07791 159.8
[M+CH3COO]- 235.09356 181.6
[M+Na-2H]- 197.05438 139.8
[M]+ 176.07916 136.6
[M]- 176.08026 136.6
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

patents stripe