CID 76453638

Methyl 2-amino-3-(4-chlorophenyl)-2-methylpropanoate hydrochloride

Structural Information

Molecular Formula
C11H14ClNO2
SMILES
CC(CC1=CC=C(C=C1)Cl)(C(=O)OC)N
InChI
InChI=1S/C11H14ClNO2/c1-11(13,10(14)15-2)7-8-3-5-9(12)6-4-8/h3-6H,7,13H2,1-2H3
InChIKey
RLPQEFRRIIZSJH-UHFFFAOYSA-N
Compound name
methyl 2-amino-3-(4-chlorophenyl)-2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

227.0713 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.078576 149.3
[M+Na]+ 250.060518 157.2
[M-H]- 226.064024 152.6
[M+NH4]+ 245.105123 168.0
[M+K]+ 266.034458 153.7
[M+H-H2O]+ 210.068560 144.5
[M+HCOO]- 272.069501 167.2
[M+CH3COO]- 286.085151 190.1
[M+Na-2H]- 248.045966 154.0
[M]+ 227.07075142 151.6
[M]- 227.07184858 151.6
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