CID 22084644

Methyl 3-amino-2-methyl-3-phenylpropanoate hydrochloride

Structural Information

Molecular Formula
C11H15NO2
SMILES
CC(C(C1=CC=CC=C1)N)C(=O)OC
InChI
InChI=1S/C11H15NO2/c1-8(11(13)14-2)10(12)9-6-4-3-5-7-9/h3-8,10H,12H2,1-2H3
InChIKey
KVMIEZCRDGCHLN-UHFFFAOYSA-N
Compound name
methyl 3-amino-2-methyl-3-phenylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

193.11028 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.117556 144.4
[M+Na]+ 216.099498 149.7
[M-H]- 192.103004 147.3
[M+NH4]+ 211.144103 163.1
[M+K]+ 232.073438 148.8
[M+H-H2O]+ 176.107540 138.1
[M+HCOO]- 238.108481 166.4
[M+CH3COO]- 252.124131 186.6
[M+Na-2H]- 214.084946 147.0
[M]+ 193.10973142 143.5
[M]- 193.11082858 143.5
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