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]+ 137.13248 129.2
[M+Na]+ 159.11442 138.5
[M-H]- 135.11792 131.8
[M+NH4]+ 154.15902 150.9
[M+K]+ 175.08836 134.3
[M+H-H2O]+ 119.12246 119.3
[M+HCOO]- 181.12340 144.2
[M+CH3COO]- 195.13905 183.5
[M+Na-2H]- 157.09987 134.1
[M]+ 136.12465 120.7
[M]- 136.12575 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