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]+ 165.07709 129.6
[M+Na]+ 187.05903 139.7
[M-H]- 163.06253 132.4
[M+NH4]+ 182.10363 147.2
[M+K]+ 203.03297 137.7
[M+H-H2O]+ 147.06707 121.6
[M+HCOO]- 209.06801 153.5
[M+CH3COO]- 223.08366 143.5
[M+Na-2H]- 185.04448 136.0
[M]+ 164.06926 129.7
[M]- 164.07036 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.