CID 66509541

3-cyclopropyl-4-ethynyl-1-methyl-1h-pyrazole

Structural Information

Molecular Formula
C9H10N2
SMILES
CN1C=C(C(=N1)C2CC2)C#C
InChI
InChI=1S/C9H10N2/c1-3-7-6-11(2)10-9(7)8-4-5-8/h1,6,8H,4-5H2,2H3
InChIKey
PYJOLYLAMYJZAA-UHFFFAOYSA-N
Compound name
3-cyclopropyl-4-ethynyl-1-methylpyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

146.0844 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.09168 128.8
[M+Na]+ 169.07362 145.8
[M-H]- 145.07712 133.5
[M+NH4]+ 164.11822 144.4
[M+K]+ 185.04756 138.3
[M+H-H2O]+ 129.08166 117.7
[M+HCOO]- 191.08260 147.7
[M+CH3COO]- 205.09825 142.5
[M+Na-2H]- 167.05907 134.2
[M]+ 146.08385 127.5
[M]- 146.08495 127.5
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.