CID 20121277

161793-04-0

Structural Information

Molecular Formula
C6H6N4O
SMILES
C1=COC=C1C2=NC(=NN2)N
InChI
InChI=1S/C6H6N4O/c7-6-8-5(9-10-6)4-1-2-11-3-4/h1-3H,(H3,7,8,9,10)
InChIKey
IEQIGPAJUVBSDC-UHFFFAOYSA-N
Compound name
5-(furan-3-yl)-1H-1,2,4-triazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

150.05415 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.06143 125.1
[M+Na]+ 173.04337 135.6
[M-H]- 149.04687 128.0
[M+NH4]+ 168.08797 143.3
[M+K]+ 189.01731 133.9
[M+H-H2O]+ 133.05141 117.3
[M+HCOO]- 195.05235 149.3
[M+CH3COO]- 209.06800 139.4
[M+Na-2H]- 171.02882 132.0
[M]+ 150.05360 124.8
[M]- 150.05470 124.8
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

patents stripe