CID 177798191

4-ethynyl-4-(methoxymethyl)oxane

Structural Information

Molecular Formula
C9H14O2
SMILES
COCC1(CCOCC1)C#C
InChI
InChI=1S/C9H14O2/c1-3-9(8-10-2)4-6-11-7-5-9/h1H,4-8H2,2H3
InChIKey
LAILWSDRJCSXNK-UHFFFAOYSA-N
Compound name
4-ethynyl-4-(methoxymethyl)oxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

154.09938 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.106656 128.9
[M+Na]+ 177.088598 137.7
[M-H]- 153.092104 131.5
[M+NH4]+ 172.133203 148.3
[M+K]+ 193.062538 135.7
[M+H-H2O]+ 137.096640 118.3
[M+HCOO]- 199.097581 143.8
[M+CH3COO]- 213.113231 183.2
[M+Na-2H]- 175.074046 136.0
[M]+ 154.09883142 122.9
[M]- 154.09992858 122.9
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.