CID 24690469

2-amino-2-(3-chlorophenyl)butanoic acid

Structural Information

Molecular Formula
C10H12ClNO2
SMILES
CCC(C1=CC(=CC=C1)Cl)(C(=O)O)N
InChI
InChI=1S/C10H12ClNO2/c1-2-10(12,9(13)14)7-4-3-5-8(11)6-7/h3-6H,2,12H2,1H3,(H,13,14)
InChIKey
PSTBLRIBNXXEBS-UHFFFAOYSA-N
Compound name
2-amino-2-(3-chlorophenyl)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 144.8
[M+Na]+ 236.04487 152.6
[M-H]- 212.04837 146.8
[M+NH4]+ 231.08947 163.2
[M+K]+ 252.01881 148.4
[M+H-H2O]+ 196.05291 140.4
[M+HCOO]- 258.05385 161.5
[M+CH3COO]- 272.06950 185.3
[M+Na-2H]- 234.03032 149.5
[M]+ 213.05510 144.9
[M]- 213.05620 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

No patent data available for this compound.