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 145.8
[M+Na]+ 229.08036 150.5
[M-H]- 205.08386 148.2
[M+NH4]+ 224.12496 165.9
[M+K]+ 245.05430 149.2
[M+H-H2O]+ 189.08840 138.8
[M+HCOO]- 251.08934 158.8
[M+CH3COO]- 265.10499 197.6
[M+Na-2H]- 227.06581 144.3
[M]+ 206.09059 149.8
[M]- 206.09169 149.8
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.