CID 523183

3-(furan-2-yl)-1h-pyrazol-5-amine

Structural Information

Molecular Formula
C7H7N3O
SMILES
C1=COC(=C1)C2=CC(=NN2)N
InChI
InChI=1S/C7H7N3O/c8-7-4-5(9-10-7)6-2-1-3-11-6/h1-4H,(H3,8,9,10)
InChIKey
XJNZHICOWTVWOX-UHFFFAOYSA-N
Compound name
5-(furan-2-yl)-1H-pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

330
Patents

149.05891 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.06619 125.4
[M+Na]+ 172.04813 135.5
[M-H]- 148.05163 129.6
[M+NH4]+ 167.09273 145.0
[M+K]+ 188.02207 133.7
[M+H-H2O]+ 132.05617 118.4
[M+HCOO]- 194.05711 150.7
[M+CH3COO]- 208.07276 140.1
[M+Na-2H]- 170.03358 132.0
[M]+ 149.05836 125.0
[M]- 149.05946 125.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe