CID 3694463

17236-20-3

Structural Information

Molecular Formula
C5H10O3S
SMILES
C1CS(=O)(=O)CC1CO
InChI
InChI=1S/C5H10O3S/c6-3-5-1-2-9(7,8)4-5/h5-6H,1-4H2
InChIKey
PJKMZHYNDJRIHG-UHFFFAOYSA-N
Compound name
(1,1-dioxothiolan-3-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
Patents

150.03506 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.04234 127.0
[M+Na]+ 173.02428 135.9
[M-H]- 149.02778 129.8
[M+NH4]+ 168.06888 151.9
[M+K]+ 188.99822 134.3
[M+H-H2O]+ 133.03232 123.8
[M+HCOO]- 195.03326 144.8
[M+CH3COO]- 209.04891 166.5
[M+Na-2H]- 171.00973 130.1
[M]+ 150.03451 127.5
[M]- 150.03561 127.5
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