CID 10889545

4-[2-(2-methoxyethoxy)ethoxy]benzaldehyde

Structural Information

Molecular Formula
C12H16O4
SMILES
COCCOCCOC1=CC=C(C=C1)C=O
InChI
InChI=1S/C12H16O4/c1-14-6-7-15-8-9-16-12-4-2-11(10-13)3-5-12/h2-5,10H,6-9H2,1H3
InChIKey
QBLWGIVLCXPANU-UHFFFAOYSA-N
Compound name
4-[2-(2-methoxyethoxy)ethoxy]benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

28
Patents

224.10486 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.11214 148.3
[M+Na]+ 247.09408 155.4
[M-H]- 223.09758 151.6
[M+NH4]+ 242.13868 166.6
[M+K]+ 263.06802 154.3
[M+H-H2O]+ 207.10212 141.6
[M+HCOO]- 269.10306 173.0
[M+CH3COO]- 283.11871 188.7
[M+Na-2H]- 245.07953 154.2
[M]+ 224.10431 154.8
[M]- 224.10541 154.8
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