CID 20189652

2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethane-1-thiol

Structural Information

Molecular Formula
C7H14O2S
SMILES
CC1(OCC(O1)CCS)C
InChI
InChI=1S/C7H14O2S/c1-7(2)8-5-6(9-7)3-4-10/h6,10H,3-5H2,1-2H3
InChIKey
ZJDSPHKKVAACOQ-UHFFFAOYSA-N
Compound name
2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethanethiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

162.07146 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.078736 131.1
[M+Na]+ 185.060678 139.4
[M-H]- 161.064184 136.3
[M+NH4]+ 180.105283 154.0
[M+K]+ 201.034618 141.0
[M+H-H2O]+ 145.068720 127.8
[M+HCOO]- 207.069661 147.7
[M+CH3COO]- 221.085311 174.8
[M+Na-2H]- 183.046126 135.6
[M]+ 162.07091142 135.1
[M]- 162.07200858 135.1
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

patents stripe