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

8
Patents

174.06406 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.07134 136.6
[M+Na]+ 197.05328 141.4
[M-H]- 173.05678 135.0
[M+NH4]+ 192.09788 154.6
[M+K]+ 213.02722 142.0
[M+H-H2O]+ 157.06132 131.0
[M+HCOO]- 219.06226 157.7
[M+CH3COO]- 233.07791 182.4
[M+Na-2H]- 195.03873 137.3
[M]+ 174.06351 134.1
[M]- 174.06461 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