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]+ 233.156976 155.5
[M+Na]+ 255.138918 160.5
[M-H]- 231.142424 159.5
[M+NH4]+ 250.183523 175.2
[M+K]+ 271.112858 161.3
[M+H-H2O]+ 215.146960 151.1
[M+HCOO]- 277.147901 169.5
[M+CH3COO]- 291.163551 189.4
[M+Na-2H]- 253.124366 156.9
[M]+ 232.14915142 160.3
[M]- 232.15024858 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.