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

71
Patents

131.09464 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.10192 129.2
[M+Na]+ 154.08386 135.4
[M-H]- 130.08736 129.1
[M+NH4]+ 149.12846 150.7
[M+K]+ 170.05780 136.0
[M+H-H2O]+ 114.09190 124.3
[M+HCOO]- 176.09284 152.1
[M+CH3COO]- 190.10849 175.3
[M+Na-2H]- 152.06931 132.8
[M]+ 131.09409 129.4
[M]- 131.09519 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.