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]+ 162.11248 136.1
[M+Na]+ 184.09442 141.8
[M-H]- 160.09792 134.6
[M+NH4]+ 179.13902 155.6
[M+K]+ 200.06836 142.2
[M+H-H2O]+ 144.10246 131.7
[M+HCOO]- 206.10340 155.8
[M+CH3COO]- 220.11905 178.8
[M+Na-2H]- 182.07987 139.4
[M]+ 161.10465 135.8
[M]- 161.10575 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