CID 22807

6338-70-1

Structural Information

Molecular Formula
C4H9NO2S
SMILES
C1CS(=O)(=O)CC1N
InChI
InChI=1S/C4H9NO2S/c5-4-1-2-8(6,7)3-4/h4H,1-3,5H2
InChIKey
OVKIDXBGVUQFFC-UHFFFAOYSA-N
Compound name
1,1-dioxothiolan-3-amine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

3
References

1236
Patents

135.0354 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.042676 122.7
[M+Na]+ 158.024618 131.6
[M-H]- 134.028124 126.3
[M+NH4]+ 153.069223 148.2
[M+K]+ 173.998558 130.1
[M+H-H2O]+ 118.032660 118.9
[M+HCOO]- 180.033601 142.4
[M+CH3COO]- 194.049251 168.1
[M+Na-2H]- 156.010066 126.0
[M]+ 135.03485142 121.3
[M]- 135.03594858 121.3
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