CID 437390

1135221-62-3

Structural Information

Molecular Formula

C₁₂H₁₅NO₃

SMILES

C1COCCN1CC2=C(C=CC(=C2)C=O)O

InChI

InChI=1S/C12H15NO3/c14-9-10-1-2-12(15)11(7-10)8-13-3-5-16-6-4-13/h1-2,7,9,15H,3-6,8H2

InChIKey

MGYKKHCIAHJEHG-UHFFFAOYSA-N

Compound name

4-hydroxy-3-(morpholin-4-ylmethyl)benzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 26
Patents: 221.1052 Da
Monoisotopic Mass: 0.5
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]+	222.11248	148.7
[M+Na]+	244.09442	154.8
[M-H]-	220.09792	152.8
[M+NH4]+	239.13902	163.4
[M+K]+	260.06836	153.0
[M+H-H2O]+	204.10246	140.9
[M+HCOO]-	266.10340	166.5
[M+CH3COO]-	280.11905	184.7
[M+Na-2H]-	242.07987	153.8
[M]+	221.10465	146.4
[M]-	221.10575	146.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe