CID 10953804

N2-acetyl-l-2,4-diaminobutanoate

Structural Information

Molecular Formula
C6H12N2O3
SMILES
CC(=O)N[C@@H](CCN)C(=O)O
InChI
InChI=1S/C6H12N2O3/c1-4(9)8-5(2-3-7)6(10)11/h5H,2-3,7H2,1H3,(H,8,9)(H,10,11)/t5-/m0/s1
InChIKey
SUUKRBBXVBJLSS-YFKPBYRVSA-N
Compound name
(2S)-2-acetamido-4-aminobutanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

52
Patents

160.0848 Da
Monoisotopic Mass

-3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.09208 135.3
[M+Na]+ 183.07402 140.2
[M-H]- 159.07752 133.7
[M+NH4]+ 178.11862 154.2
[M+K]+ 199.04796 140.3
[M+H-H2O]+ 143.08206 129.8
[M+HCOO]- 205.08300 157.1
[M+CH3COO]- 219.09865 180.0
[M+Na-2H]- 181.05947 137.2
[M]+ 160.08425 132.8
[M]- 160.08535 132.8
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.