CID 474292

(2-methyl-1,3-dithiolan-4-yl)methanol

Structural Information

Molecular Formula
C5H10OS2
SMILES
CC1SCC(S1)CO
InChI
InChI=1S/C5H10OS2/c1-4-7-3-5(2-6)8-4/h4-6H,2-3H2,1H3
InChIKey
GCUUMAUAMZDMIG-UHFFFAOYSA-N
Compound name
(2-methyl-1,3-dithiolan-4-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

150.0173 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.02458 128.3
[M+Na]+ 173.00652 136.3
[M-H]- 149.01002 130.6
[M+NH4]+ 168.05112 151.5
[M+K]+ 188.98046 133.6
[M+H-H2O]+ 133.01456 124.2
[M+HCOO]- 195.01550 139.7
[M+CH3COO]- 209.03115 169.7
[M+Na-2H]- 170.99197 127.4
[M]+ 150.01675 128.0
[M]- 150.01785 128.0
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

patents stripe