CID 16769638

3-{[(2-chlorophenyl)methyl]amino}propanoic acid hydrochloride

Structural Information

Molecular Formula
C10H12ClNO2
SMILES
C1=CC=C(C(=C1)CNCCC(=O)O)Cl
InChI
InChI=1S/C10H12ClNO2/c11-9-4-2-1-3-8(9)7-12-6-5-10(13)14/h1-4,12H,5-7H2,(H,13,14)
InChIKey
CWHCGFIZXZSAHX-UHFFFAOYSA-N
Compound name
3-[(2-chlorophenyl)methylamino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

213.05565 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.06293 144.2
[M+Na]+ 236.04487 156.1
[M+NH4]+ 231.08947 152.1
[M+K]+ 252.01881 149.6
[M-H]- 212.04837 145.9
[M+Na-2H]- 234.03032 150.3
[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

No literature data available for this compound.

Patent stripe

patents stripe