CID 56941

Brn 5728304

Structural Information

Molecular Formula
C10H20O2S
SMILES
CCCSCC(C)C1(OCCO1)C
InChI
InChI=1S/C10H20O2S/c1-4-7-13-8-9(2)10(3)11-5-6-12-10/h9H,4-8H2,1-3H3
InChIKey
FTTQYVXSPQRAIM-UHFFFAOYSA-N
Compound name
2-methyl-2-(1-propylsulfanylpropan-2-yl)-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.11841 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.12569 146.5
[M+Na]+ 227.10763 152.3
[M-H]- 203.11113 150.8
[M+NH4]+ 222.15223 167.3
[M+K]+ 243.08157 153.6
[M+H-H2O]+ 187.11567 142.4
[M+HCOO]- 249.11661 161.1
[M+CH3COO]- 263.13226 183.5
[M+Na-2H]- 225.09308 148.8
[M]+ 204.11786 150.5
[M]- 204.11896 150.5
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.