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

3
Patents

148.07489 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.082166 127.3
[M+Na]+ 171.064108 138.4
[M-H]- 147.067614 128.6
[M+NH4]+ 166.108713 146.2
[M+K]+ 187.038048 135.5
[M+H-H2O]+ 131.072150 118.8
[M+HCOO]- 193.073091 150.2
[M+CH3COO]- 207.088741 141.3
[M+Na-2H]- 169.049556 133.3
[M]+ 148.07434142 127.6
[M]- 148.07543858 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