CID 19621281

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

Structural Information

Molecular Formula
C8H11N5
SMILES
CN1C=C(C=N1)C2=NN(C=C2N)C
InChI
InChI=1S/C8H11N5/c1-12-4-6(3-10-12)8-7(9)5-13(2)11-8/h3-5H,9H2,1-2H3
InChIKey
FAQUMSXOXGLUNI-UHFFFAOYSA-N
Compound name
1-methyl-3-(1-methylpyrazol-4-yl)pyrazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

177.10144 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.10872 135.8
[M+Na]+ 200.09066 147.8
[M-H]- 176.09416 138.7
[M+NH4]+ 195.13526 154.2
[M+K]+ 216.06460 144.8
[M+H-H2O]+ 160.09870 127.1
[M+HCOO]- 222.09964 160.3
[M+CH3COO]- 236.11529 149.9
[M+Na-2H]- 198.07611 139.9
[M]+ 177.10089 137.4
[M]- 177.10199 137.4
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