CID 29391

19022-73-2

Structural Information

Molecular Formula
C8H18N2S2
SMILES
CCN(CC)CCN(C)C(=S)S
InChI
InChI=1S/C8H18N2S2/c1-4-10(5-2)7-6-9(3)8(11)12/h4-7H2,1-3H3,(H,11,12)
InChIKey
XYGKBVQOXBQHHP-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl-methylcarbamodithioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.09114 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.09842 147.5
[M+Na]+ 229.08036 154.6
[M+NH4]+ 224.12496 156.0
[M+K]+ 245.05430 146.1
[M-H]- 205.08386 149.0
[M+Na-2H]- 227.06581 149.7
[M]+ 206.09059 149.6
[M]- 206.09169 149.6
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.