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]+ 220.10019 143.4
[M+Na]+ 242.08213 149.1
[M-H]- 218.08563 148.3
[M+NH4]+ 237.12673 164.3
[M+K]+ 258.05607 148.2
[M+H-H2O]+ 202.09017 138.6
[M+HCOO]- 264.09111 156.1
[M+CH3COO]- 278.10676 182.7
[M+Na-2H]- 240.06758 148.7
[M]+ 219.09236 138.4
[M]- 219.09346 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.