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-fluoropyridin-3-yl)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]+ 194.08365 138.3
[M+Na]+ 216.06559 148.7
[M-H]- 192.06909 138.7
[M+NH4]+ 211.11019 153.7
[M+K]+ 232.03953 144.7
[M+H-H2O]+ 176.07363 127.9
[M+HCOO]- 238.07457 159.5
[M+CH3COO]- 252.09022 150.7
[M+Na-2H]- 214.05104 144.4
[M]+ 193.07582 136.2
[M]- 193.07692 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.