CID 98609

Tetrahydro-2-(2-propynyloxy)-2h-pyran

Structural Information

Molecular Formula
C8H12O2
SMILES
C#CCOC1CCCCO1
InChI
InChI=1S/C8H12O2/c1-2-6-9-8-5-3-4-7-10-8/h1,8H,3-7H2
InChIKey
HQAXHIGPGBPPFU-UHFFFAOYSA-N
Compound name
2-prop-2-ynoxyoxane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1695
Patents

140.08372 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.09100 124.5
[M+Na]+ 163.07294 132.5
[M-H]- 139.07644 126.6
[M+NH4]+ 158.11754 142.4
[M+K]+ 179.04688 131.1
[M+H-H2O]+ 123.08098 113.2
[M+HCOO]- 185.08192 139.5
[M+CH3COO]- 199.09757 180.9
[M+Na-2H]- 161.05839 131.0
[M]+ 140.08317 117.7
[M]- 140.08427 117.7
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.