CID 165810283

1-ethynyl-1-(methoxymethyl)cyclohexane

Structural Information

Molecular Formula
C10H16O
SMILES
COCC1(CCCCC1)C#C
InChI
InChI=1S/C10H16O/c1-3-10(9-11-2)7-5-4-6-8-10/h1H,4-9H2,2H3
InChIKey
HXTCYEJOQBIOGI-UHFFFAOYSA-N
Compound name
1-ethynyl-1-(methoxymethyl)cyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

152.12012 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.127396 133.1
[M+Na]+ 175.109338 141.5
[M-H]- 151.112844 135.2
[M+NH4]+ 170.153943 153.8
[M+K]+ 191.083278 137.7
[M+H-H2O]+ 135.117380 122.7
[M+HCOO]- 197.118321 148.3
[M+CH3COO]- 211.133971 184.2
[M+Na-2H]- 173.094786 138.5
[M]+ 152.11957142 125.5
[M]- 152.12066858 125.5
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.