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

1730
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

literature stripe

Patent stripe

patents stripe