CID 77874

4203-89-8

Structural Information

Molecular Formula

C₁₄H₂₃NO₃

SMILES

CC(=C)C(=O)OCCN1CCOC12CCCCC2

InChI

InChI=1S/C14H23NO3/c1-12(2)13(16)17-10-8-15-9-11-18-14(15)6-4-3-5-7-14/h1,3-11H2,2H3

InChIKey

DCEYPVNNJBGUHA-UHFFFAOYSA-N

Compound name

2-(1-oxa-4-azaspiro[4.5]decan-4-yl)ethyl 2-methylprop-2-enoate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 85
Patents: 253.1678 Da
Monoisotopic Mass: 2.5
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]+	254.175076	162.0
[M+Na]+	276.157018	165.0
[M-H]-	252.160524	165.3
[M+NH4]+	271.201623	179.7
[M+K]+	292.130958	164.6
[M+H-H2O]+	236.165060	155.3
[M+HCOO]-	298.166001	176.6
[M+CH3COO]-	312.181651	191.8
[M+Na-2H]-	274.142466	162.7
[M]+	253.16725142	158.4
[M]-	253.16834858	158.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe