CID 64105811

2253639-03-9

Structural Information

Molecular Formula
C9H17NO3S
SMILES
C1COC2(CCS(=O)(=O)CC2)CC1N
InChI
InChI=1S/C9H17NO3S/c10-8-1-4-13-9(7-8)2-5-14(11,12)6-3-9/h8H,1-7,10H2
InChIKey
FTOZKJBDXBCWIU-UHFFFAOYSA-N
Compound name
9,9-dioxo-1-oxa-9lambda6-thiaspiro[5.5]undecan-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.09291 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.100186 143.4
[M+Na]+ 242.082128 149.1
[M-H]- 218.085634 148.3
[M+NH4]+ 237.126733 164.3
[M+K]+ 258.056068 148.2
[M+H-H2O]+ 202.090170 138.6
[M+HCOO]- 264.091111 156.1
[M+CH3COO]- 278.106761 182.7
[M+Na-2H]- 240.067576 148.7
[M]+ 219.09236142 138.4
[M]- 219.09345858 138.4
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.