CID 59774890

4-ethynyl-4-methoxyoxane

Structural Information

Molecular Formula
C8H12O2
SMILES
COC1(CCOCC1)C#C
InChI
InChI=1S/C8H12O2/c1-3-8(9-2)4-6-10-7-5-8/h1H,4-7H2,2H3
InChIKey
AUXGLDKHOHEAQS-UHFFFAOYSA-N
Compound name
4-ethynyl-4-methoxyoxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

140.08372 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.090996 124.9
[M+Na]+ 163.072938 134.1
[M-H]- 139.076444 127.7
[M+NH4]+ 158.117543 144.9
[M+K]+ 179.046878 132.3
[M+H-H2O]+ 123.080980 114.5
[M+HCOO]- 185.081921 140.1
[M+CH3COO]- 199.097571 180.5
[M+Na-2H]- 161.058386 132.5
[M]+ 140.08317142 118.6
[M]- 140.08426858 118.6
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