CID 52416411

9-methyl-6,9-diazaspiro[4.5]decane

Structural Information

Molecular Formula

C₉H₁₈N₂

SMILES

CN1CCNC2(C1)CCCC2

InChI

InChI=1S/C9H18N2/c1-11-7-6-10-9(8-11)4-2-3-5-9/h10H,2-8H2,1H3

InChIKey

MTJIOPLJIVEVOW-UHFFFAOYSA-N

Compound name

9-methyl-6,9-diazaspiro[4.5]decane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 12
Patents: 154.147 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]+	155.15428	137.7
[M+Na]+	177.13622	142.4
[M-H]-	153.13972	138.1
[M+NH4]+	172.18082	159.0
[M+K]+	193.11016	140.0
[M+H-H2O]+	137.14426	130.5
[M+HCOO]-	199.14520	153.1
[M+CH3COO]-	213.16085	148.7
[M+Na-2H]-	175.12167	141.5
[M]+	154.14645	128.7
[M]-	154.14755	128.7

Literature stripe

literature stripe

Patent stripe

patents stripe