CID 165946369

3-(1-methoxyprop-2-yn-1-yl)oxolane

Structural Information

Molecular Formula
C8H12O2
SMILES
COC(C#C)C1CCOC1
InChI
InChI=1S/C8H12O2/c1-3-8(9-2)7-4-5-10-6-7/h1,7-8H,4-6H2,2H3
InChIKey
SIRSNBXCRCKRML-UHFFFAOYSA-N
Compound name
3-(1-methoxyprop-2-ynyl)oxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

140.08372 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.090996 127.3
[M+Na]+ 163.072938 135.9
[M-H]- 139.076444 129.5
[M+NH4]+ 158.117543 146.8
[M+K]+ 179.046878 134.7
[M+H-H2O]+ 123.080980 116.0
[M+HCOO]- 185.081921 143.2
[M+CH3COO]- 199.097571 181.4
[M+Na-2H]- 161.058386 131.2
[M]+ 140.08317142 121.7
[M]- 140.08426858 121.7
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.