CID 7019845

60803-67-0

Structural Information

Molecular Formula
C6H10N2O4
SMILES
CC(=O)N[C@@H](CC(=O)O)C(=O)N
InChI
InChI=1S/C6H10N2O4/c1-3(9)8-4(6(7)12)2-5(10)11/h4H,2H2,1H3,(H2,7,12)(H,8,9)(H,10,11)/t4-/m0/s1
InChIKey
FZLYWFSBVZNFHZ-BYPYZUCNSA-N
Compound name
(3S)-3-acetamido-4-amino-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

174.06406 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.071336 136.6
[M+Na]+ 197.053278 141.4
[M-H]- 173.056784 135.0
[M+NH4]+ 192.097883 154.6
[M+K]+ 213.027218 142.0
[M+H-H2O]+ 157.061320 131.0
[M+HCOO]- 219.062261 157.7
[M+CH3COO]- 233.077911 182.4
[M+Na-2H]- 195.038726 137.3
[M]+ 174.06351142 134.1
[M]- 174.06460858 134.1
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