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

1
Patents

122.10955 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.116826 126.3
[M+Na]+ 145.098768 136.9
[M-H]- 121.102274 129.1
[M+NH4]+ 140.143373 150.1
[M+K]+ 161.072708 132.7
[M+H-H2O]+ 105.106810 116.5
[M+HCOO]- 167.107751 143.5
[M+CH3COO]- 181.123401 180.6
[M+Na-2H]- 143.084216 130.5
[M]+ 122.10900142 119.3
[M]- 122.11009858 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

patents stripe