CID 28283195

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

Structural Information

Molecular Formula
C9H11N3O
SMILES
CC1=CC=C(O1)C2=C(C(=NN2)N)C
InChI
InChI=1S/C9H11N3O/c1-5-3-4-7(13-5)8-6(2)9(10)12-11-8/h3-4H,1-2H3,(H3,10,11,12)
InChIKey
RJOYYRFUJXFWTI-UHFFFAOYSA-N
Compound name
4-methyl-5-(5-methylfuran-2-yl)-1H-pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.09021 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.09749 135.5
[M+Na]+ 200.07943 146.6
[M-H]- 176.08293 140.2
[M+NH4]+ 195.12403 154.7
[M+K]+ 216.05337 144.1
[M+H-H2O]+ 160.08747 128.8
[M+HCOO]- 222.08841 160.1
[M+CH3COO]- 236.10406 150.0
[M+Na-2H]- 198.06488 139.6
[M]+ 177.08966 136.6
[M]- 177.09076 136.6
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.