CID 55288586

134275-07-3

Structural Information

Molecular Formula
C5H12N2O2
SMILES
COC(=O)[C@H](CCN)N
InChI
InChI=1S/C5H12N2O2/c1-9-5(8)4(7)2-3-6/h4H,2-3,6-7H2,1H3/t4-/m0/s1
InChIKey
MWFJEMDAQUMOKD-BYPYZUCNSA-N
Compound name
methyl (2S)-2,4-diaminobutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

132.08987 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.097146 128.8
[M+Na]+ 155.079088 134.6
[M-H]- 131.082594 128.2
[M+NH4]+ 150.123693 149.5
[M+K]+ 171.053028 135.1
[M+H-H2O]+ 115.087130 123.4
[M+HCOO]- 177.088071 152.4
[M+CH3COO]- 191.103721 176.7
[M+Na-2H]- 153.064536 132.0
[M]+ 132.08932142 126.7
[M]- 132.09041858 126.7
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