CID 3159700

392659-97-1

Structural Information

Molecular Formula

C₁₀H₁₃NO₃

SMILES

C1COCCN1CC2=CC=C(O2)C=O

InChI

InChI=1S/C10H13NO3/c12-8-10-2-1-9(14-10)7-11-3-5-13-6-4-11/h1-2,8H,3-7H2

InChIKey

ZQILSGYYJOBENS-UHFFFAOYSA-N

Compound name

5-(morpholin-4-ylmethyl)furan-2-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 195.08954 Da
Monoisotopic Mass: 0.3
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]+	196.096816	140.6
[M+Na]+	218.078758	147.1
[M-H]-	194.082264	146.6
[M+NH4]+	213.123363	157.4
[M+K]+	234.052698	147.7
[M+H-H2O]+	178.086800	133.8
[M+HCOO]-	240.087741	160.4
[M+CH3COO]-	254.103391	180.2
[M+Na-2H]-	216.064206	146.1
[M]+	195.08899142	140.5
[M]-	195.09008858	140.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe