CID 28283194

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

Structural Information

Molecular Formula
C8H9N3O
SMILES
CC1=CC=C(O1)C2=CC(=NN2)N
InChI
InChI=1S/C8H9N3O/c1-5-2-3-7(12-5)6-4-8(9)11-10-6/h2-4H,1H3,(H3,9,10,11)
InChIKey
VEJPPIRPKRTWBC-UHFFFAOYSA-N
Compound name
5-(5-methylfuran-2-yl)-1H-pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

163.07455 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.081826 130.5
[M+Na]+ 186.063768 141.1
[M-H]- 162.067274 134.9
[M+NH4]+ 181.108373 149.9
[M+K]+ 202.037708 139.0
[M+H-H2O]+ 146.071810 123.7
[M+HCOO]- 208.072751 155.4
[M+CH3COO]- 222.088401 145.1
[M+Na-2H]- 184.049216 135.8
[M]+ 163.07400142 130.8
[M]- 163.07509858 130.8
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

No patent data available for this compound.