CID 11344168

Methyl 2-amino-3-hydroxy-4-methylpentanoate hydrochloride

Structural Information

Molecular Formula
C7H15NO3
SMILES
CC(C)C(C(C(=O)OC)N)O
InChI
InChI=1S/C7H15NO3/c1-4(2)6(9)5(8)7(10)11-3/h4-6,9H,8H2,1-3H3
InChIKey
JBBDHJYLWWJVKS-UHFFFAOYSA-N
Compound name
methyl 2-amino-3-hydroxy-4-methylpentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

161.1052 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.11248 137.7
[M+Na]+ 184.09442 142.7
[M-H]- 160.09792 136.1
[M+NH4]+ 179.13902 157.1
[M+K]+ 200.06836 143.6
[M+H-H2O]+ 144.10246 132.8
[M+HCOO]- 206.10340 157.0
[M+CH3COO]- 220.11905 179.8
[M+Na-2H]- 182.07987 137.7
[M]+ 161.10465 136.5
[M]- 161.10575 136.5
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