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]+ 135.09168 127.9
[M+Na]+ 157.07362 138.0
[M-H]- 133.07712 126.0
[M+NH4]+ 152.11822 145.8
[M+K]+ 173.04756 134.6
[M+H-H2O]+ 117.08166 114.9
[M+HCOO]- 179.08260 142.7
[M+CH3COO]- 193.09825 180.7
[M+Na-2H]- 155.05907 131.0
[M]+ 134.08385 120.9
[M]- 134.08495 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.