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]+ 177.11348 136.8
[M+Na]+ 199.09542 146.7
[M-H]- 175.09892 138.0
[M+NH4]+ 194.14002 154.5
[M+K]+ 215.06936 143.7
[M+H-H2O]+ 159.10346 128.0
[M+HCOO]- 221.10440 158.0
[M+CH3COO]- 235.12005 149.8
[M+Na-2H]- 197.08087 140.6
[M]+ 176.10565 137.2
[M]- 176.10675 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.