CID 3131596

1181556-77-3

Structural Information

Molecular Formula
C8H18N2O2S
SMILES
CN(C)CCNC1CCS(=O)(=O)C1
InChI
InChI=1S/C8H18N2O2S/c1-10(2)5-4-9-8-3-6-13(11,12)7-8/h8-9H,3-7H2,1-2H3
InChIKey
GOWLRXOPUKQNAO-UHFFFAOYSA-N
Compound name
N-(1,1-dioxothiolan-3-yl)-N',N'-dimethylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.1089 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.11618 145.8
[M+Na]+ 229.09812 152.5
[M+NH4]+ 224.14272 154.8
[M+K]+ 245.07206 146.0
[M-H]- 205.10162 147.2
[M+Na-2H]- 227.08357 150.2
[M]+ 206.10835 147.3
[M]- 206.10945 147.3
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.