CID 146082251

4-ethynyl-1-methyl-1h-pyrazole-5-carbonitrile

Structural Information

Molecular Formula
C7H5N3
SMILES
CN1C(=C(C=N1)C#C)C#N
InChI
InChI=1S/C7H5N3/c1-3-6-5-9-10(2)7(6)4-8/h1,5H,2H3
InChIKey
RAVMYBMRGPJJGR-UHFFFAOYSA-N
Compound name
4-ethynyl-2-methylpyrazole-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

131.04834 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.05562 135.7
[M+Na]+ 154.03756 146.5
[M-H]- 130.04106 136.2
[M+NH4]+ 149.08216 149.2
[M+K]+ 170.01150 143.6
[M+H-H2O]+ 114.04560 119.6
[M+HCOO]- 176.04654 146.4
[M+CH3COO]- 190.06219 205.7
[M+Na-2H]- 152.02301 137.9
[M]+ 131.04779 127.6
[M]- 131.04889 127.6
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.