CID 2772117

1052552-74-5

Structural Information

Molecular Formula
C6H13NO2S
SMILES
CCNC1CCS(=O)(=O)C1
InChI
InChI=1S/C6H13NO2S/c1-2-7-6-3-4-10(8,9)5-6/h6-7H,2-5H2,1H3
InChIKey
BNVNYCSJNTUPFM-UHFFFAOYSA-N
Compound name
N-ethyl-1,1-dioxothiolan-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

24
Patents

163.0667 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.07398 130.9
[M+Na]+ 186.05592 139.0
[M-H]- 162.05942 134.8
[M+NH4]+ 181.10052 155.7
[M+K]+ 202.02986 137.4
[M+H-H2O]+ 146.06396 126.8
[M+HCOO]- 208.06490 150.6
[M+CH3COO]- 222.08055 174.8
[M+Na-2H]- 184.04137 134.3
[M]+ 163.06615 131.3
[M]- 163.06725 131.3
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