CID 16226707

863669-68-5

Structural Information

Molecular Formula
C10H22N2O2S
SMILES
CCN(CC)CCNC1CCS(=O)(=O)C1
InChI
InChI=1S/C10H22N2O2S/c1-3-12(4-2)7-6-11-10-5-8-15(13,14)9-10/h10-11H,3-9H2,1-2H3
InChIKey
JDGBZZMJOOCQCG-UHFFFAOYSA-N
Compound name
N-(1,1-dioxothiolan-3-yl)-N',N'-diethylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.1402 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.14748 151.7
[M+Na]+ 257.12942 157.1
[M-H]- 233.13292 156.0
[M+NH4]+ 252.17402 173.7
[M+K]+ 273.10336 155.8
[M+H-H2O]+ 217.13746 146.1
[M+HCOO]- 279.13840 171.4
[M+CH3COO]- 293.15405 195.3
[M+Na-2H]- 255.11487 153.1
[M]+ 234.13965 153.9
[M]- 234.14075 153.9
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.