CID 19800413

2-amino-4-methoxy-3,3-dimethylbutanoic acid hydrochloride

Structural Information

Molecular Formula
C7H15NO3
SMILES
CC(C)(COC)C(C(=O)O)N
InChI
InChI=1S/C7H15NO3/c1-7(2,4-11-3)5(8)6(9)10/h5H,4,8H2,1-3H3,(H,9,10)
InChIKey
RRVPPTLBLZLLPF-UHFFFAOYSA-N
Compound name
2-amino-4-methoxy-3,3-dimethylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

161.1052 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.112476 136.1
[M+Na]+ 184.094418 141.8
[M-H]- 160.097924 134.6
[M+NH4]+ 179.139023 155.6
[M+K]+ 200.068358 142.2
[M+H-H2O]+ 144.102460 131.7
[M+HCOO]- 206.103401 155.8
[M+CH3COO]- 220.119051 178.8
[M+Na-2H]- 182.079866 139.4
[M]+ 161.10465142 135.8
[M]- 161.10574858 135.8
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

patents stripe