CID 155822490

1-(1-ethynylcyclopropyl)-1h-pyrazole

Structural Information

Molecular Formula
C8H8N2
SMILES
C#CC1(CC1)N2C=CC=N2
InChI
InChI=1S/C8H8N2/c1-2-8(4-5-8)10-7-3-6-9-10/h1,3,6-7H,4-5H2
InChIKey
OQAQHPAIVWXZDD-UHFFFAOYSA-N
Compound name
1-(1-ethynylcyclopropyl)pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

132.06874 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.07602 126.9
[M+Na]+ 155.05796 143.6
[M-H]- 131.06146 131.6
[M+NH4]+ 150.10256 144.2
[M+K]+ 171.03190 136.7
[M+H-H2O]+ 115.06600 116.3
[M+HCOO]- 177.06694 146.0
[M+CH3COO]- 191.08259 140.7
[M+Na-2H]- 153.04341 134.8
[M]+ 132.06819 125.0
[M]- 132.06929 125.0
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.