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]+ 166.053236 127.7
[M+Na]+ 188.035178 134.2
[M-H]- 164.038684 131.0
[M+NH4]+ 183.079783 145.1
[M+K]+ 204.009118 136.2
[M+H-H2O]+ 148.043220 119.1
[M+HCOO]- 210.044161 145.4
[M+CH3COO]- 224.059811 178.5
[M+Na-2H]- 186.020626 132.8
[M]+ 165.04541142 138.3
[M]- 165.04650858 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.