CID 16770275

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

Structural Information

Molecular Formula
C11H14FNO2
SMILES
C1=CC(=CC=C1CNCCCC(=O)O)F
InChI
InChI=1S/C11H14FNO2/c12-10-5-3-9(4-6-10)8-13-7-1-2-11(14)15/h3-6,13H,1-2,7-8H2,(H,14,15)
InChIKey
KHNSPPSEEZPHAD-UHFFFAOYSA-N
Compound name
4-[(4-fluorophenyl)methylamino]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

211.10086 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.10814 145.4
[M+Na]+ 234.09008 151.6
[M-H]- 210.09358 146.1
[M+NH4]+ 229.13468 163.1
[M+K]+ 250.06402 148.7
[M+H-H2O]+ 194.09812 138.3
[M+HCOO]- 256.09906 167.4
[M+CH3COO]- 270.11471 187.5
[M+Na-2H]- 232.07553 149.8
[M]+ 211.10031 144.2
[M]- 211.10141 144.2
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