CID 137935825

2253630-57-6

Structural Information

Molecular Formula

C₁₀H₁₅NO₃

SMILES

COC(=O)C1=CC2(CCNCC2)OC1

InChI

InChI=1S/C10H15NO3/c1-13-9(12)8-6-10(14-7-8)2-4-11-5-3-10/h6,11H,2-5,7H2,1H3

InChIKey

VMQXBTHBYSCFMS-UHFFFAOYSA-N

Compound name

methyl 1-oxa-8-azaspiro[4.5]dec-3-ene-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 197.1052 Da
Monoisotopic Mass: -0.2
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]+	198.112476	143.4
[M+Na]+	220.094418	148.8
[M-H]-	196.097924	146.3
[M+NH4]+	215.139023	163.0
[M+K]+	236.068358	148.3
[M+H-H2O]+	180.102460	137.4
[M+HCOO]-	242.103401	160.2
[M+CH3COO]-	256.119051	176.7
[M+Na-2H]-	218.079866	147.9
[M]+	197.10465142	139.3
[M]-	197.10574858	139.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.