CID 105569200

1-[(5-fluoropyridin-3-yl)methyl]-1h-1,2,4-triazol-3-amine

Structural Information

Molecular Formula
C8H8FN5
SMILES
C1=C(C=NC=C1F)CN2C=NC(=N2)N
InChI
InChI=1S/C8H8FN5/c9-7-1-6(2-11-3-7)4-14-5-12-8(10)13-14/h1-3,5H,4H2,(H2,10,13)
InChIKey
HRJCBOPYORWLFY-UHFFFAOYSA-N
Compound name
1-[(5-fluoro-3-pyridinyl)methyl]-1,2,4-triazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.07637 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.083646 138.3
[M+Na]+ 216.065588 148.7
[M-H]- 192.069094 138.7
[M+NH4]+ 211.110193 153.7
[M+K]+ 232.039528 144.7
[M+H-H2O]+ 176.073630 127.9
[M+HCOO]- 238.074571 159.5
[M+CH3COO]- 252.090221 150.7
[M+Na-2H]- 214.051036 144.4
[M]+ 193.07582142 136.2
[M]- 193.07691858 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.