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]+ 206.084546 133.3
[M+Na]+ 228.066488 137.1
[M-H]- 204.069994 138.4
[M+NH4]+ 223.111093 144.0
[M+K]+ 244.040428 141.3
[M+H-H2O]+ 188.074530 121.5
[M+HCOO]- 250.075471 147.8
[M+CH3COO]- 264.091121 195.3
[M+Na-2H]- 226.051936 139.2
[M]+ 205.07672142 151.5
[M]- 205.07781858 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.