CID 16067438

2,3-dihydrothieno[3,4-b]-1,4-dioxin-2-methanol

Structural Information

Molecular Formula
C7H8O3S
SMILES
C1C(OC2=CSC=C2O1)CO
InChI
InChI=1S/C7H8O3S/c8-1-5-2-9-6-3-11-4-7(6)10-5/h3-5,8H,1-2H2
InChIKey
YFCHAINVYLQVBG-UHFFFAOYSA-N
Compound name
2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

408
Patents

172.01941 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.026686 130.0
[M+Na]+ 195.008628 138.7
[M-H]- 171.012134 134.9
[M+NH4]+ 190.053233 150.8
[M+K]+ 210.982568 139.0
[M+H-H2O]+ 155.016670 126.3
[M+HCOO]- 217.017611 145.7
[M+CH3COO]- 231.033261 144.2
[M+Na-2H]- 192.994076 135.8
[M]+ 172.01886142 132.5
[M]- 172.01995858 132.5
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