CID 137942591

2287271-68-3

Structural Information

Molecular Formula
C7H15NO3S
SMILES
COC1(CCS(=N)(=O)CC1)OC
InChI
InChI=1S/C7H15NO3S/c1-10-7(11-2)3-5-12(8,9)6-4-7/h8H,3-6H2,1-2H3
InChIKey
ZRSPZZSWDSRNHO-UHFFFAOYSA-N
Compound name
1-imino-4,4-dimethoxythiane 1-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.07727 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.08455 135.7
[M+Na]+ 216.06649 142.8
[M-H]- 192.06999 139.1
[M+NH4]+ 211.11109 159.1
[M+K]+ 232.04043 141.9
[M+H-H2O]+ 176.07453 131.8
[M+HCOO]- 238.07547 153.1
[M+CH3COO]- 252.09112 180.0
[M+Na-2H]- 214.05194 141.7
[M]+ 193.07672 136.2
[M]- 193.07782 136.2
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

No patent data available for this compound.