CID 87760

S-[2-(dimethylamino)ethyl] ethanethioate

Structural Information

Molecular Formula
C6H13NOS
SMILES
CC(=O)SCCN(C)C
InChI
InChI=1S/C6H13NOS/c1-6(8)9-5-4-7(2)3/h4-5H2,1-3H3
InChIKey
WWQBUCLKROAZHO-UHFFFAOYSA-N
Compound name
S-[2-(dimethylamino)ethyl] ethanethioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

147.0718 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.07908 131.3
[M+Na]+ 170.06102 137.9
[M-H]- 146.06452 133.3
[M+NH4]+ 165.10562 153.7
[M+K]+ 186.03496 138.2
[M+H-H2O]+ 130.06906 125.9
[M+HCOO]- 192.07000 150.4
[M+CH3COO]- 206.08565 180.6
[M+Na-2H]- 168.04647 133.2
[M]+ 147.07125 135.1
[M]- 147.07235 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