CID 57814928

(2r)-2-amino-3-(2-chloro-4-methylphenyl)propanoic acid hydrochloride

Structural Information

Molecular Formula
C10H12ClNO2
SMILES
CC1=CC(=C(C=C1)C[C@H](C(=O)O)N)Cl
InChI
InChI=1S/C10H12ClNO2/c1-6-2-3-7(8(11)4-6)5-9(12)10(13)14/h2-4,9H,5,12H2,1H3,(H,13,14)/t9-/m1/s1
InChIKey
HYFOYEOZSRIHPU-SECBINFHSA-N
Compound name
(2R)-2-amino-3-(2-chloro-4-methylphenyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

213.05565 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.062926 144.5
[M+Na]+ 236.044868 152.6
[M-H]- 212.048374 146.6
[M+NH4]+ 231.089473 163.1
[M+K]+ 252.018808 148.5
[M+H-H2O]+ 196.052910 140.0
[M+HCOO]- 258.053851 161.8
[M+CH3COO]- 272.069501 187.1
[M+Na-2H]- 234.030316 146.5
[M]+ 213.05510142 144.9
[M]- 213.05619858 144.9
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