CID 66509525

1354706-51-6

Structural Information

Molecular Formula
C8H10N2
SMILES
CC(C)N1C=C(C=N1)C#C
InChI
InChI=1S/C8H10N2/c1-4-8-5-9-10(6-8)7(2)3/h1,5-7H,2-3H3
InChIKey
CCQVOMOPERINAW-UHFFFAOYSA-N
Compound name
4-ethynyl-1-propan-2-ylpyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

134.0844 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.09168 126.0
[M+Na]+ 157.07362 136.5
[M-H]- 133.07712 125.3
[M+NH4]+ 152.11822 144.5
[M+K]+ 173.04756 133.9
[M+H-H2O]+ 117.08166 112.7
[M+HCOO]- 179.08260 142.2
[M+CH3COO]- 193.09825 183.1
[M+Na-2H]- 155.05907 129.7
[M]+ 134.08385 120.7
[M]- 134.08495 120.7
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