CID 49768025

1-(2-furylmethyl)-4-thia-1-azaspiro[4.5]decan-2-one

Structural Information

Molecular Formula
C13H17NO2S
SMILES
C1CCC2(CC1)N(C(=O)CS2)CC3=CC=CO3
InChI
InChI=1S/C13H17NO2S/c15-12-10-17-13(6-2-1-3-7-13)14(12)9-11-5-4-8-16-11/h4-5,8H,1-3,6-7,9-10H2
InChIKey
YBDJOUNUTVLZTF-UHFFFAOYSA-N
Compound name
4-(furan-2-ylmethyl)-1-thia-4-azaspiro[4.5]decan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

251.098 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.10528 156.8
[M+Na]+ 274.08722 163.8
[M-H]- 250.09072 164.7
[M+NH4]+ 269.13182 177.6
[M+K]+ 290.06116 162.0
[M+H-H2O]+ 234.09526 151.2
[M+HCOO]- 296.09620 171.3
[M+CH3COO]- 310.11185 169.0
[M+Na-2H]- 272.07267 156.5
[M]+ 251.09745 155.1
[M]- 251.09855 155.1
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.