CID 59230

102145-09-5

Structural Information

Molecular Formula
C12H24O2S
SMILES
CCCCCSCC(C)C1(OCCO1)C
InChI
InChI=1S/C12H24O2S/c1-4-5-6-9-15-10-11(2)12(3)13-7-8-14-12/h11H,4-10H2,1-3H3
InChIKey
ARSVPDJWXYJXJS-UHFFFAOYSA-N
Compound name
2-methyl-2-(1-pentylsulfanylpropan-2-yl)-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.1497 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.15698 155.5
[M+Na]+ 255.13892 160.5
[M-H]- 231.14242 159.5
[M+NH4]+ 250.18352 175.2
[M+K]+ 271.11286 161.3
[M+H-H2O]+ 215.14696 151.1
[M+HCOO]- 277.14790 169.5
[M+CH3COO]- 291.16355 189.4
[M+Na-2H]- 253.12437 156.9
[M]+ 232.14915 160.3
[M]- 232.15025 160.3
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.