CID 10013505

503431-81-0

Structural Information

Molecular Formula
C10H18N2OS
SMILES
CC[C@H]1C(=O)NC2(S1)CCN(CC2)C
InChI
InChI=1S/C10H18N2OS/c1-3-8-9(13)11-10(14-8)4-6-12(2)7-5-10/h8H,3-7H2,1-2H3,(H,11,13)/t8-/m0/s1
InChIKey
PHOZOHFUXHPOCK-QMMMGPOBSA-N
Compound name
(2S)-2-ethyl-8-methyl-1-thia-4,8-diazaspiro[4.5]decan-3-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

6
References

1461
Patents

214.11398 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.12126 148.4
[M+Na]+ 237.10320 155.3
[M-H]- 213.10670 149.6
[M+NH4]+ 232.14780 168.6
[M+K]+ 253.07714 151.9
[M+H-H2O]+ 197.11124 142.5
[M+HCOO]- 259.11218 158.9
[M+CH3COO]- 273.12783 181.6
[M+Na-2H]- 235.08865 148.0
[M]+ 214.11343 144.1
[M]- 214.11453 144.1
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.