CID 43831640

158890-29-0

Structural Information

Molecular Formula

C₉H₁₄ClNO₃

SMILES

C1CN(CCC12OCCO2)C(=O)CCl

InChI

InChI=1S/C9H14ClNO3/c10-7-8(12)11-3-1-9(2-4-11)13-5-6-14-9/h1-7H2

InChIKey

BLUGCRZMJSMHFW-UHFFFAOYSA-N

Compound name

2-chloro-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 32
Patents: 219.06622 Da
Monoisotopic Mass: 0.3
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]+	220.07350	146.5
[M+Na]+	242.05544	152.4
[M-H]-	218.05894	150.9
[M+NH4]+	237.10004	165.3
[M+K]+	258.02938	152.2
[M+H-H2O]+	202.06348	141.1
[M+HCOO]-	264.06442	158.0
[M+CH3COO]-	278.08007	180.7
[M+Na-2H]-	240.04089	151.2
[M]+	219.06567	144.9
[M]-	219.06677	144.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe