CID 122240536

1-cyclopentyl-4-ethynyl-1h-pyrazole

Structural Information

Molecular Formula
C10H12N2
SMILES
C#CC1=CN(N=C1)C2CCCC2
InChI
InChI=1S/C10H12N2/c1-2-9-7-11-12(8-9)10-5-3-4-6-10/h1,7-8,10H,3-6H2
InChIKey
PXWJMDYNSIWHNN-UHFFFAOYSA-N
Compound name
1-cyclopentyl-4-ethynylpyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

160.10005 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.107326 134.1
[M+Na]+ 183.089268 143.9
[M-H]- 159.092774 135.5
[M+NH4]+ 178.133873 152.8
[M+K]+ 199.063208 139.1
[M+H-H2O]+ 143.097310 119.8
[M+HCOO]- 205.098251 150.0
[M+CH3COO]- 219.113901 145.4
[M+Na-2H]- 181.074716 135.6
[M]+ 160.09950142 126.0
[M]- 160.10059858 126.0
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.