CID 18795003

Propan-2-yl 3-amino-2-methylpropanoate hydrochloride

Structural Information

Molecular Formula
C7H15NO2
SMILES
CC(C)OC(=O)C(C)CN
InChI
InChI=1S/C7H15NO2/c1-5(2)10-7(9)6(3)4-8/h5-6H,4,8H2,1-3H3
InChIKey
WMNMBLUPPHBHTD-UHFFFAOYSA-N
Compound name
propan-2-yl 3-amino-2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
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 134.1
[M+Na]+ 168.099498 139.8
[M-H]- 144.103004 133.9
[M+NH4]+ 163.144103 155.0
[M+K]+ 184.073438 140.6
[M+H-H2O]+ 128.107540 129.2
[M+HCOO]- 190.108481 155.7
[M+CH3COO]- 204.124131 179.3
[M+Na-2H]- 166.084946 135.9
[M]+ 145.10973142 134.1
[M]- 145.11082858 134.1
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