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]+ 225.139766 152.1
[M+Na]+ 247.121708 157.5
[M-H]- 223.125214 155.1
[M+NH4]+ 242.166313 170.1
[M+K]+ 263.095648 156.3
[M+H-H2O]+ 207.129750 144.2
[M+HCOO]- 269.130691 175.0
[M+CH3COO]- 283.146341 199.1
[M+Na-2H]- 245.107156 153.6
[M]+ 224.13194142 150.4
[M]- 224.13303858 150.4
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.