CID 315892

3-[(prop-2-en-1-yl)amino]-1lambda6-thiolane-1,1-dione hydrochloride

Structural Information

Molecular Formula
C7H13NO2S
SMILES
C=CCNC1CCS(=O)(=O)C1
InChI
InChI=1S/C7H13NO2S/c1-2-4-8-7-3-5-11(9,10)6-7/h2,7-8H,1,3-6H2
InChIKey
OYOKNASZLZRFFM-UHFFFAOYSA-N
Compound name
1,1-dioxo-N-prop-2-enylthiolan-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

24
Patents

175.0667 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.07398 134.5
[M+Na]+ 198.05592 142.4
[M-H]- 174.05942 138.1
[M+NH4]+ 193.10052 158.6
[M+K]+ 214.02986 139.9
[M+H-H2O]+ 158.06396 130.2
[M+HCOO]- 220.06490 154.0
[M+CH3COO]- 234.08055 177.0
[M+Na-2H]- 196.04137 137.4
[M]+ 175.06615 134.5
[M]- 175.06725 134.5
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