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]+ 164.08183 129.9
[M+Na]+ 186.06377 140.9
[M-H]- 162.06727 135.7
[M+NH4]+ 181.10837 150.0
[M+K]+ 202.03771 139.7
[M+H-H2O]+ 146.07181 122.9
[M+HCOO]- 208.07275 156.4
[M+CH3COO]- 222.08840 145.2
[M+Na-2H]- 184.04922 135.7
[M]+ 163.07400 132.1
[M]- 163.07510 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.