CID 3482402

71526-07-3

Structural Information

Molecular Formula

C₁₀H₁₅Cl₂NO₂

SMILES

C1CCC2(CC1)N(CCO2)C(=O)C(Cl)Cl

InChI

InChI=1S/C10H15Cl2NO2/c11-8(12)9(14)13-6-7-15-10(13)4-2-1-3-5-10/h8H,1-7H2

InChIKey

QWWHRELOCZEQNZ-UHFFFAOYSA-N

Compound name

2,2-dichloro-1-(1-oxa-4-azaspiro[4.5]decan-4-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 7361
Patents: 251.04799 Da
Monoisotopic Mass: 2.4
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]+	252.05527	154.5
[M+Na]+	274.03721	160.1
[M-H]-	250.04071	157.6
[M+NH4]+	269.08181	173.6
[M+K]+	290.01115	157.2
[M+H-H2O]+	234.04525	149.4
[M+HCOO]-	296.04619	160.4
[M+CH3COO]-	310.06184	187.0
[M+Na-2H]-	272.02266	155.8
[M]+	251.04744	151.6
[M]-	251.04854	151.6

Literature stripe

literature stripe

Patent stripe

patents stripe