CID 146050291

2413879-03-3

Structural Information

Molecular Formula
C8H15NO3S
SMILES
COC1(CC2(C1)CS(=N)(=O)C2)OC
InChI
InChI=1S/C8H15NO3S/c1-11-8(12-2)3-7(4-8)5-13(9,10)6-7/h9H,3-6H2,1-2H3
InChIKey
LWDQJDYZBCCVMN-UHFFFAOYSA-N
Compound name
2-imino-6,6-dimethoxy-2lambda6-thiaspiro[3.3]heptane 2-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.07727 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.08455 133.3
[M+Na]+ 228.06649 137.1
[M-H]- 204.06999 138.4
[M+NH4]+ 223.11109 144.0
[M+K]+ 244.04043 141.3
[M+H-H2O]+ 188.07453 121.5
[M+HCOO]- 250.07547 147.8
[M+CH3COO]- 264.09112 195.3
[M+Na-2H]- 226.05194 139.2
[M]+ 205.07672 151.5
[M]- 205.07782 151.5
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.