CID 75525736

1699087-66-5

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

31
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 120.4
[M+Na]+ 158.02462 126.9
[M-H]- 134.02812 123.7
[M+NH4]+ 153.06922 137.2
[M+K]+ 173.99856 128.5
[M+H-H2O]+ 118.03266 110.7
[M+HCOO]- 180.03360 138.4
[M+CH3COO]- 194.04925 173.7
[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