CID 72208244

1363382-15-3

Structural Information

Molecular Formula
C8H12O
SMILES
CC1(CCOCC1)C#C
InChI
InChI=1S/C8H12O/c1-3-8(2)4-6-9-7-5-8/h1H,4-7H2,2H3
InChIKey
FCECDEBZYQPIIW-UHFFFAOYSA-N
Compound name
4-ethynyl-4-methyloxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

124.08881 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.096086 122.5
[M+Na]+ 147.078028 131.7
[M-H]- 123.081534 125.3
[M+NH4]+ 142.122633 143.0
[M+K]+ 163.051968 129.4
[M+H-H2O]+ 107.086070 112.2
[M+HCOO]- 169.087011 137.4
[M+CH3COO]- 183.102661 178.7
[M+Na-2H]- 145.063476 130.0
[M]+ 124.08826142 114.8
[M]- 124.08935858 114.8
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