CID 520540

3,6-dihydro-2h-pyran

Structural Information

Molecular Formula
C5H8O
SMILES
C1COCC=C1
InChI
InChI=1S/C5H8O/c1-2-4-6-5-3-1/h1-2H,3-5H2
InChIKey
MUGSKSNNEORSJG-UHFFFAOYSA-N
Compound name
3,6-dihydro-2H-pyran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

45
References

80226
Patents

84.05752 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 85.064796 112.3
[M+Na]+ 107.046738 118.4
[M-H]- 83.050244 116.1
[M+NH4]+ 102.091343 134.5
[M+K]+ 123.020678 119.7
[M+H-H2O]+ 67.054780 107.4
[M+HCOO]- 129.055721 134.7
[M+CH3COO]- 143.071371 160.8
[M+Na-2H]- 105.032186 122.6
[M]+ 84.05697142 109.6
[M]- 84.05806858 109.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe