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]+ 164.08183 130.5
[M+Na]+ 186.06377 141.1
[M-H]- 162.06727 134.9
[M+NH4]+ 181.10837 149.9
[M+K]+ 202.03771 139.0
[M+H-H2O]+ 146.07181 123.7
[M+HCOO]- 208.07275 155.4
[M+CH3COO]- 222.08840 145.1
[M+Na-2H]- 184.04922 135.8
[M]+ 163.07400 130.8
[M]- 163.07510 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.