CID 147310290

3-ethynyl-1,1-dimethylcyclopentane

Structural Information

Molecular Formula
C9H14
SMILES
CC1(CCC(C1)C#C)C
InChI
InChI=1S/C9H14/c1-4-8-5-6-9(2,3)7-8/h1,8H,5-7H2,2-3H3
InChIKey
CXUZOKKDLIBATD-UHFFFAOYSA-N
Compound name
3-ethynyl-1,1-dimethylcyclopentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

122.10955 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.11683 126.3
[M+Na]+ 145.09877 136.9
[M-H]- 121.10227 129.1
[M+NH4]+ 140.14337 150.1
[M+K]+ 161.07271 132.7
[M+H-H2O]+ 105.10681 116.5
[M+HCOO]- 167.10775 143.5
[M+CH3COO]- 181.12340 180.6
[M+Na-2H]- 143.08422 130.5
[M]+ 122.10900 119.3
[M]- 122.11010 119.3
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.