CID 105432751

2940949-20-0

Structural Information

Molecular Formula
C5H11NO3S
SMILES
COC1(CS(=O)(=O)C1)CN
InChI
InChI=1S/C5H11NO3S/c1-9-5(2-6)3-10(7,8)4-5/h2-4,6H2,1H3
InChIKey
MJBKGJGTYRILEU-UHFFFAOYSA-N
Compound name
(3-methoxy-1,1-dioxothietan-3-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

165.04596 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.05324 127.7
[M+Na]+ 188.03518 134.2
[M-H]- 164.03868 131.0
[M+NH4]+ 183.07978 145.1
[M+K]+ 204.00912 136.2
[M+H-H2O]+ 148.04322 119.1
[M+HCOO]- 210.04416 145.4
[M+CH3COO]- 224.05981 178.5
[M+Na-2H]- 186.02063 132.8
[M]+ 165.04541 138.3
[M]- 165.04651 138.3
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

No patent data available for this compound.