CID 59228

102145-07-3

Structural Information

Molecular Formula
C11H22O2S
SMILES
CCCCSCC(C)C1(OCCO1)C
InChI
InChI=1S/C11H22O2S/c1-4-5-8-14-9-10(2)11(3)12-6-7-13-11/h10H,4-9H2,1-3H3
InChIKey
AWYZLLHTKSDDLF-UHFFFAOYSA-N
Compound name
2-(1-butylsulfanylpropan-2-yl)-2-methyl-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.13405 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.14133 151.0
[M+Na]+ 241.12327 156.4
[M-H]- 217.12677 155.2
[M+NH4]+ 236.16787 171.2
[M+K]+ 257.09721 157.5
[M+H-H2O]+ 201.13131 146.7
[M+HCOO]- 263.13225 165.3
[M+CH3COO]- 277.14790 186.5
[M+Na-2H]- 239.10872 152.8
[M]+ 218.13350 155.4
[M]- 218.13460 155.4
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.