CID 82343989

N-[5-(aminomethyl)pyridin-2-yl]-2,2,2-trifluoroacetamide

Structural Information

Molecular Formula
C8H8F3N3O
SMILES
C1=CC(=NC=C1CN)NC(=O)C(F)(F)F
InChI
InChI=1S/C8H8F3N3O/c9-8(10,11)7(15)14-6-2-1-5(3-12)4-13-6/h1-2,4H,3,12H2,(H,13,14,15)
InChIKey
ZJQMKNPBTWOCHO-UHFFFAOYSA-N
Compound name
N-[5-(aminomethyl)pyridin-2-yl]-2,2,2-trifluoroacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.06195 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.06923 142.4
[M+Na]+ 242.05117 150.2
[M-H]- 218.05467 140.7
[M+NH4]+ 237.09577 158.7
[M+K]+ 258.02511 147.4
[M+H-H2O]+ 202.05921 133.1
[M+HCOO]- 264.06015 162.1
[M+CH3COO]- 278.07580 190.5
[M+Na-2H]- 240.03662 147.8
[M]+ 219.06140 136.2
[M]- 219.06250 136.2
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.