CID 56942

Brn 5497284

Structural Information

Molecular Formula
C10H20O3S
SMILES
CCSCC(C)C1(OCC(O1)CO)C
InChI
InChI=1S/C10H20O3S/c1-4-14-7-8(2)10(3)12-6-9(5-11)13-10/h8-9,11H,4-7H2,1-3H3
InChIKey
PODOKRBZPJMGKO-UHFFFAOYSA-N
Compound name
[2-(1-ethylsulfanylpropan-2-yl)-2-methyl-1,3-dioxolan-4-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.11331 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.12059 149.4
[M+Na]+ 243.10253 155.5
[M-H]- 219.10603 152.6
[M+NH4]+ 238.14713 169.0
[M+K]+ 259.07647 156.2
[M+H-H2O]+ 203.11057 145.7
[M+HCOO]- 265.11151 162.7
[M+CH3COO]- 279.12716 184.0
[M+Na-2H]- 241.08798 151.0
[M]+ 220.11276 153.5
[M]- 220.11386 153.5
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

No patent data available for this compound.