CID 66509401

1-cyclopentyl-3-ethynyl-1h-pyrazole

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

160.10005 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.10733 134.1
[M+Na]+ 183.08927 143.9
[M-H]- 159.09277 135.5
[M+NH4]+ 178.13387 152.8
[M+K]+ 199.06321 139.1
[M+H-H2O]+ 143.09731 119.8
[M+HCOO]- 205.09825 150.0
[M+CH3COO]- 219.11390 145.4
[M+Na-2H]- 181.07472 135.6
[M]+ 160.09950 126.0
[M]- 160.10060 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

patents stripe