CID 53421140

3,6-dihydro-2h-pyran-3-ol

Structural Information

Molecular Formula
C5H8O2
SMILES
C1C=CC(CO1)O
InChI
InChI=1S/C5H8O2/c6-5-2-1-3-7-4-5/h1-2,5-6H,3-4H2
InChIKey
IHVWAXHWELFEAT-UHFFFAOYSA-N
Compound name
3,6-dihydro-2H-pyran-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

138
Patents

100.05243 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 101.05971 115.9
[M+Na]+ 123.04165 122.5
[M-H]- 99.045154 118.7
[M+NH4]+ 118.08625 137.0
[M+K]+ 139.01559 123.2
[M+H-H2O]+ 83.049690 111.2
[M+HCOO]- 145.05063 137.0
[M+CH3COO]- 159.06628 161.2
[M+Na-2H]- 121.02710 124.9
[M]+ 100.05188 113.1
[M]- 100.05298 113.1
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