CID 10953550

Methyl 4-amino-3-methylbutanoate hydrochloride

Structural Information

Molecular Formula
C6H13NO2
SMILES
C[C@@H](CC(=O)OC)CN
InChI
InChI=1S/C6H13NO2/c1-5(4-7)3-6(8)9-2/h5H,3-4,7H2,1-2H3/t5-/m0/s1
InChIKey
XMTSNVMIKXQAPW-YFKPBYRVSA-N
Compound name
methyl (3S)-4-amino-3-methylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

77
Patents

131.09464 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.101916 129.2
[M+Na]+ 154.083858 135.4
[M-H]- 130.087364 129.1
[M+NH4]+ 149.128463 150.7
[M+K]+ 170.057798 136.0
[M+H-H2O]+ 114.091900 124.3
[M+HCOO]- 176.092841 152.1
[M+CH3COO]- 190.108491 175.3
[M+Na-2H]- 152.069306 132.8
[M]+ 131.09409142 129.4
[M]- 131.09518858 129.4
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.