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

81
Patents

150.03506 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.042336 127.0
[M+Na]+ 173.024278 135.9
[M-H]- 149.027784 129.8
[M+NH4]+ 168.068883 151.9
[M+K]+ 188.998218 134.3
[M+H-H2O]+ 133.032320 123.8
[M+HCOO]- 195.033261 144.8
[M+CH3COO]- 209.048911 166.5
[M+Na-2H]- 171.009726 130.1
[M]+ 150.03451142 127.5
[M]- 150.03560858 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