CID 373710

Nsc650611

Structural Information

Molecular Formula
C5H10O4S
SMILES
CC1(COS(=O)OC1)CO
InChI
InChI=1S/C5H10O4S/c1-5(2-6)3-8-10(7)9-4-5/h6H,2-4H2,1H3
InChIKey
JFPIBVKMGJPJRZ-UHFFFAOYSA-N
Compound name
(5-methyl-2-oxo-1,3,2-dioxathian-5-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

166.02998 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.03726 128.3
[M+Na]+ 189.01920 135.8
[M-H]- 165.02270 132.0
[M+NH4]+ 184.06380 148.0
[M+K]+ 204.99314 137.3
[M+H-H2O]+ 149.02724 124.3
[M+HCOO]- 211.02818 142.5
[M+CH3COO]- 225.04383 169.9
[M+Na-2H]- 187.00465 134.9
[M]+ 166.02943 129.8
[M]- 166.03053 129.8
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.