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]+ 201.057996 140.0
[M+Na]+ 223.039938 148.7
[M-H]- 199.043444 147.4
[M+NH4]+ 218.084543 162.2
[M+K]+ 239.013878 149.1
[M+H-H2O]+ 183.047980 137.0
[M+HCOO]- 245.048921 157.4
[M+CH3COO]- 259.064571 176.2
[M+Na-2H]- 221.025386 143.1
[M]+ 200.05017142 143.1
[M]- 200.05126858 143.1
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.