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

2
Patents

204.07864 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.08592 141.6
[M+Na]+ 227.06786 151.3
[M-H]- 203.07136 147.3
[M+NH4]+ 222.11246 162.7
[M+K]+ 243.04180 150.0
[M+H-H2O]+ 187.07590 136.3
[M+HCOO]- 249.07684 165.8
[M+CH3COO]- 263.09249 185.2
[M+Na-2H]- 225.05331 148.6
[M]+ 204.07809 147.2
[M]- 204.07919 147.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe