CID 2517806

760183-53-7

Structural Information

Molecular Formula

C₁₄H₁₇NO₄

SMILES

COC1=C(C=CC(=C1)C=O)OCC(=O)N2CCCC2

InChI

InChI=1S/C14H17NO4/c1-18-13-8-11(9-16)4-5-12(13)19-10-14(17)15-6-2-3-7-15/h4-5,8-9H,2-3,6-7,10H2,1H3

InChIKey

WQPVWMPVTAJJCJ-UHFFFAOYSA-N

Compound name

3-methoxy-4-(2-oxo-2-pyrrolidin-1-ylethoxy)benzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 0
Patents: 263.11575 Da
Monoisotopic Mass: 1.3
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]+	264.123026	158.9
[M+Na]+	286.104968	165.2
[M-H]-	262.108474	164.0
[M+NH4]+	281.149573	175.7
[M+K]+	302.078908	163.4
[M+H-H2O]+	246.113010	151.2
[M+HCOO]-	308.113951	180.2
[M+CH3COO]-	322.129601	194.2
[M+Na-2H]-	284.090416	160.1
[M]+	263.11520142	160.9
[M]-	263.11629858	160.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.