CID 177798343

3-ethynyl-2-methyl-2h,4h,5h,6h-cyclopenta[c]pyrazole

Structural Information

Molecular Formula
C9H10N2
SMILES
CN1C(=C2CCCC2=N1)C#C
InChI
InChI=1S/C9H10N2/c1-3-9-7-5-4-6-8(7)10-11(9)2/h1H,4-6H2,2H3
InChIKey
PURDUJOHKWWYAF-UHFFFAOYSA-N
Compound name
3-ethynyl-2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

146.0844 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.091676 130.2
[M+Na]+ 169.073618 142.3
[M-H]- 145.077124 130.5
[M+NH4]+ 164.118223 151.1
[M+K]+ 185.047558 137.3
[M+H-H2O]+ 129.081660 117.3
[M+HCOO]- 191.082601 146.4
[M+CH3COO]- 205.098251 142.6
[M+Na-2H]- 167.059066 133.1
[M]+ 146.08385142 124.7
[M]- 146.08494858 124.7
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

No patent data available for this compound.