CID 136656584

1-methyl-3-(1h-pyrazol-4-yl)-1h-pyrazole dihydrochloride

Structural Information

Molecular Formula
C7H8N4
SMILES
CN1C=CC(=N1)C2=CNN=C2
InChI
InChI=1S/C7H8N4/c1-11-3-2-7(10-11)6-4-8-9-5-6/h2-5H,1H3,(H,8,9)
InChIKey
FVWMEPWXBRKKJQ-UHFFFAOYSA-N
Compound name
1-methyl-3-(1H-pyrazol-4-yl)pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

148.07489 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.08217 127.3
[M+Na]+ 171.06411 138.4
[M-H]- 147.06761 128.6
[M+NH4]+ 166.10871 146.2
[M+K]+ 187.03805 135.5
[M+H-H2O]+ 131.07215 118.8
[M+HCOO]- 193.07309 150.2
[M+CH3COO]- 207.08874 141.3
[M+Na-2H]- 169.04956 133.3
[M]+ 148.07434 127.6
[M]- 148.07544 127.6
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

patents stripe