CID 202397

10288-31-0

Structural Information

Molecular Formula
C10H13NO2S
SMILES
C=CCN1C(=O)CC2(C1=O)CCSC2
InChI
InChI=1S/C10H13NO2S/c1-2-4-11-8(12)6-10(9(11)13)3-5-14-7-10/h2H,1,3-7H2
InChIKey
HZYYQZHCTSRLPC-UHFFFAOYSA-N
Compound name
2-prop-2-enyl-7-thia-2-azaspiro[4.4]nonane-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.0667 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.07398 147.4
[M+Na]+ 234.05592 156.2
[M-H]- 210.05942 152.0
[M+NH4]+ 229.10052 171.4
[M+K]+ 250.02986 153.3
[M+H-H2O]+ 194.06396 142.9
[M+HCOO]- 256.06490 163.5
[M+CH3COO]- 270.08055 181.8
[M+Na-2H]- 232.04137 146.2
[M]+ 211.06615 146.8
[M]- 211.06725 146.8
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.