CID 474695

(1r,3r)-1-isopropyl-6-methyl-5-methylsulfanyl-4,6-diaza-spiro[2.4]hept-4-en-7-one

Structural Information

Molecular Formula
C10H16N2OS
SMILES
CC(C)[C@H]1CC12C(=O)N(C(=N2)SC)C
InChI
InChI=1S/C10H16N2OS/c1-6(2)7-5-10(7)8(13)12(3)9(11-10)14-4/h6-7H,5H2,1-4H3/t7-,10?/m1/s1
InChIKey
YIOQREYQCYBQDA-PVSHWOEXSA-N
Compound name
(2R)-6-methyl-5-methylsulfanyl-2-propan-2-yl-4,6-diazaspiro[2.4]hept-4-en-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

212.09833 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.10561 147.9
[M+Na]+ 235.08755 159.8
[M-H]- 211.09105 152.6
[M+NH4]+ 230.13215 164.7
[M+K]+ 251.06149 156.5
[M+H-H2O]+ 195.09559 142.5
[M+HCOO]- 257.09653 163.0
[M+CH3COO]- 271.11218 190.1
[M+Na-2H]- 233.07300 147.9
[M]+ 212.09778 154.1
[M]- 212.09888 154.1
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.