CID 767049

110651-54-2

Structural Information

Molecular Formula

C₁₃H₁₇NO₄

SMILES

COC1=CC(=CC(=C1O)C=O)CN2CCOCC2

InChI

InChI=1S/C13H17NO4/c1-17-12-7-10(6-11(9-15)13(12)16)8-14-2-4-18-5-3-14/h6-7,9,16H,2-5,8H2,1H3

InChIKey

PLDOTXBAUZAVHP-UHFFFAOYSA-N

Compound name

2-hydroxy-3-methoxy-5-(morpholin-4-ylmethyl)benzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 251.11575 Da
Monoisotopic Mass: 1.0
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]+	252.123026	156.1
[M+Na]+	274.104968	162.5
[M-H]-	250.108474	160.4
[M+NH4]+	269.149573	169.8
[M+K]+	290.078908	161.1
[M+H-H2O]+	234.113010	148.1
[M+HCOO]-	296.113951	173.7
[M+CH3COO]-	310.129601	191.2
[M+Na-2H]-	272.090416	160.0
[M]+	251.11520142	156.0
[M]-	251.11629858	156.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe