CID 26532

Methyl 2-amino-3-(4-chlorophenyl)propanoate

Structural Information

Molecular Formula
C10H12ClNO2
SMILES
COC(=O)C(CC1=CC=C(C=C1)Cl)N
InChI
InChI=1S/C10H12ClNO2/c1-14-10(13)9(12)6-7-2-4-8(11)5-3-7/h2-5,9H,6,12H2,1H3
InChIKey
FBHPVOLRIXZZMD-UHFFFAOYSA-N
Compound name
methyl 2-amino-3-(4-chlorophenyl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

71
References

121
Patents

213.05565 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.06293 144.2
[M+Na]+ 236.04487 156.0
[M+NH4]+ 231.08947 152.2
[M+K]+ 252.01881 150.2
[M-H]- 212.04837 146.0
[M+Na-2H]- 234.03032 150.0
[M]+ 213.05510 146.5
[M]- 213.05620 146.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe