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]+ 136.04268 119.3
[M+Na]+ 158.02462 125.8
[M-H]- 134.02812 123.2
[M+NH4]+ 153.06922 136.5
[M+K]+ 173.99856 127.9
[M+H-H2O]+ 118.03266 109.7
[M+HCOO]- 180.03360 138.0
[M+CH3COO]- 194.04925 174.4
[M+Na-2H]- 156.01007 124.5
[M]+ 135.03485 128.8
[M]- 135.03595 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