CID 565190

1-ethynyl-1-methoxycyclohexane

Structural Information

Molecular Formula
C9H14O
SMILES
COC1(CCCCC1)C#C
InChI
InChI=1S/C9H14O/c1-3-9(10-2)7-5-4-6-8-9/h1H,4-8H2,2H3
InChIKey
XIAIXPAXBPDAQZ-UHFFFAOYSA-N
Compound name
1-ethynyl-1-methoxycyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

138.10446 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.111736 129.2
[M+Na]+ 161.093678 138.0
[M-H]- 137.097184 131.4
[M+NH4]+ 156.138283 150.4
[M+K]+ 177.067618 134.4
[M+H-H2O]+ 121.101720 118.9
[M+HCOO]- 183.102661 144.6
[M+CH3COO]- 197.118311 181.5
[M+Na-2H]- 159.079126 135.1
[M]+ 138.10391142 121.2
[M]- 138.10500858 121.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe