CID 165984127

4-ethynyl-3-(propan-2-yl)-1h-pyrazole

Structural Information

Molecular Formula
C8H10N2
SMILES
CC(C)C1=C(C=NN1)C#C
InChI
InChI=1S/C8H10N2/c1-4-7-5-9-10-8(7)6(2)3/h1,5-6H,2-3H3,(H,9,10)
InChIKey
CBPVUNKVHCCBBV-UHFFFAOYSA-N
Compound name
4-ethynyl-5-propan-2-yl-1H-pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

134.0844 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.091676 127.9
[M+Na]+ 157.073618 138.0
[M-H]- 133.077124 126.0
[M+NH4]+ 152.118223 145.8
[M+K]+ 173.047558 134.6
[M+H-H2O]+ 117.081660 114.9
[M+HCOO]- 179.082601 142.7
[M+CH3COO]- 193.098251 180.7
[M+Na-2H]- 155.059066 131.0
[M]+ 134.08385142 120.9
[M]- 134.08494858 120.9
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.