CID 57956034

3-(2-methoxyethyl)benzaldehyde

Structural Information

Molecular Formula
C10H12O2
SMILES
COCCC1=CC(=CC=C1)C=O
InChI
InChI=1S/C10H12O2/c1-12-6-5-9-3-2-4-10(7-9)8-11/h2-4,7-8H,5-6H2,1H3
InChIKey
FDDJYMFPZCKHQD-UHFFFAOYSA-N
Compound name
3-(2-methoxyethyl)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

164.08372 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.09100 132.8
[M+Na]+ 187.07294 141.0
[M-H]- 163.07644 136.6
[M+NH4]+ 182.11754 153.8
[M+K]+ 203.04688 139.4
[M+H-H2O]+ 147.08098 127.2
[M+HCOO]- 209.08192 157.8
[M+CH3COO]- 223.09757 178.7
[M+Na-2H]- 185.05839 139.9
[M]+ 164.08317 135.7
[M]- 164.08427 135.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe