CID 25799

Captamine

Structural Information

Molecular Formula
C4H11NS
SMILES
CN(C)CCS
InChI
InChI=1S/C4H11NS/c1-5(2)3-4-6/h6H,3-4H2,1-2H3
InChIKey
DENMGZODXQRYAR-UHFFFAOYSA-N
Compound name
2-(dimethylamino)ethanethiol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

21
References

4090
Patents

105.06122 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 106.068496 119.3
[M+Na]+ 128.050438 126.7
[M-H]- 104.053944 121.6
[M+NH4]+ 123.095043 143.5
[M+K]+ 144.024378 127.4
[M+H-H2O]+ 88.058480 114.4
[M+HCOO]- 150.059421 139.6
[M+CH3COO]- 164.075071 173.5
[M+Na-2H]- 126.035886 123.3
[M]+ 105.06067142 122.3
[M]- 105.06176858 122.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe