CID 43148299

3-amino-2-[(4-fluorophenyl)methyl]propanamide

Structural Information

Molecular Formula
C10H13FN2O
SMILES
C1=CC(=CC=C1CC(CN)C(=O)N)F
InChI
InChI=1S/C10H13FN2O/c11-9-3-1-7(2-4-9)5-8(6-12)10(13)14/h1-4,8H,5-6,12H2,(H2,13,14)
InChIKey
AOVNHZKZKPEZEX-UHFFFAOYSA-N
Compound name
2-(aminomethyl)-3-(4-fluorophenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.1012 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.108476 142.8
[M+Na]+ 219.090418 148.8
[M-H]- 195.093924 144.1
[M+NH4]+ 214.135023 160.9
[M+K]+ 235.064358 146.3
[M+H-H2O]+ 179.098460 135.5
[M+HCOO]- 241.099401 165.2
[M+CH3COO]- 255.115051 189.6
[M+Na-2H]- 217.075866 145.0
[M]+ 196.10065142 138.2
[M]- 196.10174858 138.2
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

No patent data available for this compound.