CID 131105753

1934800-12-0

Structural Information

Molecular Formula
C9H12N4
SMILES
CC(C)N1C=C(C=N1)C2=CNN=C2
InChI
InChI=1S/C9H12N4/c1-7(2)13-6-9(5-12-13)8-3-10-11-4-8/h3-7H,1-2H3,(H,10,11)
InChIKey
INIYZILUNGCHCY-UHFFFAOYSA-N
Compound name
1-propan-2-yl-4-(1H-pyrazol-4-yl)pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.1062 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.113476 136.8
[M+Na]+ 199.095418 146.7
[M-H]- 175.098924 138.0
[M+NH4]+ 194.140023 154.5
[M+K]+ 215.069358 143.7
[M+H-H2O]+ 159.103460 128.0
[M+HCOO]- 221.104401 158.0
[M+CH3COO]- 235.120051 149.8
[M+Na-2H]- 197.080866 140.6
[M]+ 176.10565142 137.2
[M]- 176.10674858 137.2
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.