CID 6485561

3-(2-methoxyethoxy)benzaldehyde

Structural Information

Molecular Formula
C10H12O3
SMILES
COCCOC1=CC=CC(=C1)C=O
InChI
InChI=1S/C10H12O3/c1-12-5-6-13-10-4-2-3-9(7-10)8-11/h2-4,7-8H,5-6H2,1H3
InChIKey
RCERKBSPVRUVQL-UHFFFAOYSA-N
Compound name
3-(2-methoxyethoxy)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

184
Patents

180.07864 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.08592 136.0
[M+Na]+ 203.06786 144.1
[M-H]- 179.07136 139.8
[M+NH4]+ 198.11246 156.2
[M+K]+ 219.04180 143.0
[M+H-H2O]+ 163.07590 130.0
[M+HCOO]- 225.07684 161.2
[M+CH3COO]- 239.09249 180.7
[M+Na-2H]- 201.05331 143.1
[M]+ 180.07809 140.3
[M]- 180.07919 140.3
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