CID 13248577

Methyl 3-amino-2,2-dimethylbutanoate hydrochloride

Structural Information

Molecular Formula
C7H15NO2
SMILES
CC(C(C)(C)C(=O)OC)N
InChI
InChI=1S/C7H15NO2/c1-5(8)7(2,3)6(9)10-4/h5H,8H2,1-4H3
InChIKey
HYUUPJAZVLZSGD-UHFFFAOYSA-N
Compound name
methyl 3-amino-2,2-dimethylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

145.11028 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.117556 132.7
[M+Na]+ 168.099498 139.0
[M-H]- 144.103004 132.8
[M+NH4]+ 163.144103 153.8
[M+K]+ 184.073438 139.8
[M+H-H2O]+ 128.107540 128.4
[M+HCOO]- 190.108481 153.8
[M+CH3COO]- 204.124131 178.7
[M+Na-2H]- 166.084946 136.6
[M]+ 145.10973142 132.8
[M]- 145.11082858 132.8
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