CID 12816

3'-methylcyclohexanespiro-5'-hydantoin

Structural Information

Molecular Formula

C₉H₁₄N₂O₂

SMILES

CN1C(=O)C2(CCCCC2)NC1=O

InChI

InChI=1S/C9H14N2O2/c1-11-7(12)9(10-8(11)13)5-3-2-4-6-9/h2-6H2,1H3,(H,10,13)

InChIKey

VSFUHUUDMVNIRO-UHFFFAOYSA-N

Compound name

3-methyl-1,3-diazaspiro[4.5]decane-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 182.10553 Da
Monoisotopic Mass: 0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	183.11281	140.5
[M+Na]+	205.09475	147.7
[M-H]-	181.09825	141.8
[M+NH4]+	200.13935	161.1
[M+K]+	221.06869	144.9
[M+H-H2O]+	165.10279	134.1
[M+HCOO]-	227.10373	156.7
[M+CH3COO]-	241.11938	176.0
[M+Na-2H]-	203.08020	143.4
[M]+	182.10498	133.9
[M]-	182.10608	133.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe