CID 75525736

2-(aminomethyl)thietane 1,1-dioxide hydrochloride

Structural Information

Molecular Formula
C4H9NO2S
SMILES
C1CS(=O)(=O)C1CN
InChI
InChI=1S/C4H9NO2S/c5-3-4-1-2-8(4,6)7/h4H,1-3,5H2
InChIKey
DJBKJFOIJLHGKE-UHFFFAOYSA-N
Compound name
(1,1-dioxothietan-2-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

135.0354 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.04268 122.9
[M+Na]+ 158.02462 127.7
[M+NH4]+ 153.06922 128.5
[M+K]+ 173.99856 122.0
[M-H]- 134.02812 121.1
[M+Na-2H]- 156.01007 125.8
[M]+ 135.03485 122.2
[M]- 135.03595 122.2
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