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]+ 219.141326 151.0
[M+Na]+ 241.123268 156.4
[M-H]- 217.126774 155.2
[M+NH4]+ 236.167873 171.2
[M+K]+ 257.097208 157.5
[M+H-H2O]+ 201.131310 146.7
[M+HCOO]- 263.132251 165.3
[M+CH3COO]- 277.147901 186.5
[M+Na-2H]- 239.108716 152.8
[M]+ 218.13350142 155.4
[M]- 218.13459858 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.