CID 165946369

2703781-21-7

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]+ 141.09100 127.3
[M+Na]+ 163.07294 135.9
[M-H]- 139.07644 129.5
[M+NH4]+ 158.11754 146.8
[M+K]+ 179.04688 134.7
[M+H-H2O]+ 123.08098 116.0
[M+HCOO]- 185.08192 143.2
[M+CH3COO]- 199.09757 181.4
[M+Na-2H]- 161.05839 131.2
[M]+ 140.08317 121.7
[M]- 140.08427 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.