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)-2-pyridinyl]-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]+ 220.069226 142.4
[M+Na]+ 242.051168 150.2
[M-H]- 218.054674 140.7
[M+NH4]+ 237.095773 158.7
[M+K]+ 258.025108 147.4
[M+H-H2O]+ 202.059210 133.1
[M+HCOO]- 264.060151 162.1
[M+CH3COO]- 278.075801 190.5
[M+Na-2H]- 240.036616 147.8
[M]+ 219.06140142 136.2
[M]- 219.06249858 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.