CID 132354053

2138545-43-2

Structural Information

Molecular Formula
C7H15NO3S
SMILES
C1CS(=O)(=O)CCC1OCCN
InChI
InChI=1S/C7H15NO3S/c8-3-4-11-7-1-5-12(9,10)6-2-7/h7H,1-6,8H2
InChIKey
TXSDTGMHYPTRSH-UHFFFAOYSA-N
Compound name
2-(1,1-dioxothian-4-yl)oxyethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.07727 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.084546 137.9
[M+Na]+ 216.066488 144.2
[M-H]- 192.069994 140.5
[M+NH4]+ 211.111093 159.0
[M+K]+ 232.040428 142.5
[M+H-H2O]+ 176.074530 132.9
[M+HCOO]- 238.075471 154.6
[M+CH3COO]- 252.091121 179.6
[M+Na-2H]- 214.051936 141.2
[M]+ 193.07672142 136.9
[M]- 193.07781858 136.9
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.