CID 3062371

11-ethoxyviburtinal

Structural Information

Molecular Formula

C₁₂H₁₂O₃

SMILES

CCOCC1=COC=C2C1=CC=C2C=O

InChI

InChI=1S/C12H12O3/c1-2-14-6-10-7-15-8-12-9(5-13)3-4-11(10)12/h3-5,7-8H,2,6H2,1H3

InChIKey

VQSGSHVNMAGNDE-UHFFFAOYSA-N

Compound name

4-(ethoxymethyl)cyclopenta[c]pyran-7-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 204.07864 Da
Monoisotopic Mass: 1.5
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]+	205.085916	141.6
[M+Na]+	227.067858	151.3
[M-H]-	203.071364	147.3
[M+NH4]+	222.112463	162.7
[M+K]+	243.041798	150.0
[M+H-H2O]+	187.075900	136.3
[M+HCOO]-	249.076841	165.8
[M+CH3COO]-	263.092491	185.2
[M+Na-2H]-	225.053306	148.6
[M]+	204.07809142	147.2
[M]-	204.07918858	147.2

Literature stripe

literature stripe

Patent stripe

patents stripe