CID 20373

4361-62-0

Structural Information

Molecular Formula
C9H12O3S
SMILES
CC1(OCC(O1)CO)C2=CC=CS2
InChI
InChI=1S/C9H12O3S/c1-9(8-3-2-4-13-8)11-6-7(5-10)12-9/h2-4,7,10H,5-6H2,1H3
InChIKey
HOANEJPRHBZMAR-UHFFFAOYSA-N
Compound name
(2-methyl-2-thiophen-2-yl-1,3-dioxolan-4-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.05072 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.05800 140.6
[M+Na]+ 223.03994 150.4
[M+NH4]+ 218.08454 150.8
[M+K]+ 239.01388 145.8
[M-H]- 199.04344 145.4
[M+Na-2H]- 221.02539 145.7
[M]+ 200.05017 143.9
[M]- 200.05127 143.9
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.