CID 3847762

2-amino-2-(4-chlorophenyl)propanoic acid

Structural Information

Molecular Formula
C9H10ClNO2
SMILES
CC(C1=CC=C(C=C1)Cl)(C(=O)O)N
InChI
InChI=1S/C9H10ClNO2/c1-9(11,8(12)13)6-2-4-7(10)5-3-6/h2-5H,11H2,1H3,(H,12,13)
InChIKey
FQTSAWDHVYIQAC-UHFFFAOYSA-N
Compound name
2-amino-2-(4-chlorophenyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

199.04001 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.04729 140.1
[M+Na]+ 222.02923 148.3
[M-H]- 198.03273 142.3
[M+NH4]+ 217.07383 159.1
[M+K]+ 238.00317 144.4
[M+H-H2O]+ 182.03727 136.0
[M+HCOO]- 244.03821 157.1
[M+CH3COO]- 258.05386 182.2
[M+Na-2H]- 220.01468 145.3
[M]+ 199.03946 139.8
[M]- 199.04056 139.8
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