CID 2414098

N-(3-fluorophenyl)-2-(methylamino)acetamide hydrochloride

Structural Information

Molecular Formula
C9H11FN2O
SMILES
CNCC(=O)NC1=CC(=CC=C1)F
InChI
InChI=1S/C9H11FN2O/c1-11-6-9(13)12-8-4-2-3-7(10)5-8/h2-5,11H,6H2,1H3,(H,12,13)
InChIKey
RQKDJHXAPOJIDX-UHFFFAOYSA-N
Compound name
N-(3-fluorophenyl)-2-(methylamino)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

182.08554 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.092816 136.8
[M+Na]+ 205.074758 143.6
[M-H]- 181.078264 139.3
[M+NH4]+ 200.119363 156.2
[M+K]+ 221.048698 141.5
[M+H-H2O]+ 165.082800 129.6
[M+HCOO]- 227.083741 161.8
[M+CH3COO]- 241.099391 186.2
[M+Na-2H]- 203.060206 143.0
[M]+ 182.08499142 134.5
[M]- 182.08608858 134.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe