CID 84082939

2825007-40-5

Structural Information

Molecular Formula
C5H11NO2S
SMILES
CNCC1CS(=O)(=O)C1
InChI
InChI=1S/C5H11NO2S/c1-6-2-5-3-9(7,8)4-5/h5-6H,2-4H2,1H3
InChIKey
RCCISPPYZJLDMA-UHFFFAOYSA-N
Compound name
1-(1,1-dioxothietan-3-yl)-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

149.05106 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.05834 123.8
[M+Na]+ 172.04028 129.9
[M-H]- 148.04378 127.5
[M+NH4]+ 167.08488 140.4
[M+K]+ 188.01422 131.7
[M+H-H2O]+ 132.04832 114.0
[M+HCOO]- 194.04926 142.1
[M+CH3COO]- 208.06491 177.3
[M+Na-2H]- 170.02573 128.5
[M]+ 149.05051 133.6
[M]- 149.05161 133.6
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