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 152.1
[M+Na]+ 247.12171 157.5
[M-H]- 223.12521 155.1
[M+NH4]+ 242.16631 170.1
[M+K]+ 263.09565 156.3
[M+H-H2O]+ 207.12975 144.2
[M+HCOO]- 269.13069 175.0
[M+CH3COO]- 283.14634 199.1
[M+Na-2H]- 245.10716 153.6
[M]+ 224.13194 150.4
[M]- 224.13304 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.