CID 43649648

2-amino-n-[(2-fluorophenyl)methyl]-n-methylbutanamide

Structural Information

Molecular Formula
C12H17FN2O
SMILES
CCC(C(=O)N(C)CC1=CC=CC=C1F)N
InChI
InChI=1S/C12H17FN2O/c1-3-11(14)12(16)15(2)8-9-6-4-5-7-10(9)13/h4-7,11H,3,8,14H2,1-2H3
InChIKey
XGMLBICNMQKJQY-UHFFFAOYSA-N
Compound name
2-amino-N-[(2-fluorophenyl)methyl]-N-methylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.13249 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.13977 151.7
[M+Na]+ 247.12171 160.6
[M+NH4]+ 242.16631 158.5
[M+K]+ 263.09565 155.7
[M-H]- 223.12521 152.8
[M+Na-2H]- 245.10716 156.4
[M]+ 224.13194 152.9
[M]- 224.13304 152.9
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.