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

3
Patents

146.0844 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.091676 128.8
[M+Na]+ 169.073618 145.8
[M-H]- 145.077124 133.5
[M+NH4]+ 164.118223 144.4
[M+K]+ 185.047558 138.3
[M+H-H2O]+ 129.081660 117.7
[M+HCOO]- 191.082601 147.7
[M+CH3COO]- 205.098251 142.5
[M+Na-2H]- 167.059066 134.2
[M]+ 146.08385142 127.5
[M]- 146.08494858 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

patents stripe