CID 137702141

3-ethynyl-1,1-dimethylcyclohexane

Structural Information

Molecular Formula
C10H16
SMILES
CC1(CCCC(C1)C#C)C
InChI
InChI=1S/C10H16/c1-4-9-6-5-7-10(2,3)8-9/h1,9H,5-8H2,2-3H3
InChIKey
UHYAGWCHTOTKJS-UHFFFAOYSA-N
Compound name
3-ethynyl-1,1-dimethylcyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

136.1252 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.132476 129.2
[M+Na]+ 159.114418 138.5
[M-H]- 135.117924 131.8
[M+NH4]+ 154.159023 150.9
[M+K]+ 175.088358 134.3
[M+H-H2O]+ 119.122460 119.3
[M+HCOO]- 181.123401 144.2
[M+CH3COO]- 195.139051 183.5
[M+Na-2H]- 157.099866 134.1
[M]+ 136.12465142 120.7
[M]- 136.12574858 120.7
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

patents stripe