CID 57814928

2503155-61-9

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

14
Patents

213.05565 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.06293 144.3
[M+Na]+ 236.04487 155.9
[M+NH4]+ 231.08947 151.9
[M+K]+ 252.01881 150.6
[M-H]- 212.04837 145.6
[M+Na-2H]- 234.03032 149.3
[M]+ 213.05510 146.4
[M]- 213.05620 146.4
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