CID 83216523

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

Structural Information

Molecular Formula
C8H9N3O
SMILES
CN1C=C(C(=N1)C2=CC=CO2)N
InChI
InChI=1S/C8H9N3O/c1-11-5-6(9)8(10-11)7-3-2-4-12-7/h2-5H,9H2,1H3
InChIKey
QGDGKWXXULMTKR-UHFFFAOYSA-N
Compound name
3-(furan-2-yl)-1-methylpyrazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

163.07455 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.081826 129.9
[M+Na]+ 186.063768 140.9
[M-H]- 162.067274 135.7
[M+NH4]+ 181.108373 150.0
[M+K]+ 202.037708 139.7
[M+H-H2O]+ 146.071810 122.9
[M+HCOO]- 208.072751 156.4
[M+CH3COO]- 222.088401 145.2
[M+Na-2H]- 184.049216 135.7
[M]+ 163.07400142 132.1
[M]- 163.07509858 132.1
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.