CID 84082940

2044712-90-3

Structural Information

Molecular Formula
C4H9NO2S
SMILES
CNC1CS(=O)(=O)C1
InChI
InChI=1S/C4H9NO2S/c1-5-4-2-8(6,7)3-4/h4-5H,2-3H2,1H3
InChIKey
FEFCJSGMKUPHMY-UHFFFAOYSA-N
Compound name
N-methyl-1,1-dioxothietan-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

135.0354 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.042676 119.3
[M+Na]+ 158.024618 125.8
[M-H]- 134.028124 123.2
[M+NH4]+ 153.069223 136.5
[M+K]+ 173.998558 127.9
[M+H-H2O]+ 118.032660 109.7
[M+HCOO]- 180.033601 138.0
[M+CH3COO]- 194.049251 174.4
[M+Na-2H]- 156.010066 124.5
[M]+ 135.03485142 128.8
[M]- 135.03594858 128.8
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

patents stripe