CID 50988712

[3-(furan-2-yl)-1h-1,2,4-triazol-5-yl]methanamine hydrochloride

Structural Information

Molecular Formula
C7H8N4O
SMILES
C1=COC(=C1)C2=NNC(=N2)CN
InChI
InChI=1S/C7H8N4O/c8-4-6-9-7(11-10-6)5-2-1-3-12-5/h1-3H,4,8H2,(H,9,10,11)
InChIKey
UOATXZVHTLNFAB-UHFFFAOYSA-N
Compound name
[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

164.06981 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.077086 129.6
[M+Na]+ 187.059028 139.7
[M-H]- 163.062534 132.4
[M+NH4]+ 182.103633 147.2
[M+K]+ 203.032968 137.7
[M+H-H2O]+ 147.067070 121.6
[M+HCOO]- 209.068011 153.5
[M+CH3COO]- 223.083661 143.5
[M+Na-2H]- 185.044476 136.0
[M]+ 164.06926142 129.7
[M]- 164.07035858 129.7
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.