CID 16769647

4-{[(3-chlorophenyl)methyl]amino}butanoic acid hydrochloride

Structural Information

Molecular Formula
C11H14ClNO2
SMILES
C1=CC(=CC(=C1)Cl)CNCCCC(=O)O
InChI
InChI=1S/C11H14ClNO2/c12-10-4-1-3-9(7-10)8-13-6-2-5-11(14)15/h1,3-4,7,13H,2,5-6,8H2,(H,14,15)
InChIKey
OHMPAZGQCXHOCI-UHFFFAOYSA-N
Compound name
4-[(3-chlorophenyl)methylamino]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.0713 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.07858 148.8
[M+Na]+ 250.06052 160.5
[M+NH4]+ 245.10512 156.5
[M+K]+ 266.03446 153.7
[M-H]- 226.06402 150.4
[M+Na-2H]- 248.04597 154.6
[M]+ 227.07075 151.0
[M]- 227.07185 151.0
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.