CID 84048543

3-ethyl-5-methoxybenzaldehyde

Structural Information

Molecular Formula
C10H12O2
SMILES
CCC1=CC(=CC(=C1)OC)C=O
InChI
InChI=1S/C10H12O2/c1-3-8-4-9(7-11)6-10(5-8)12-2/h4-7H,3H2,1-2H3
InChIKey
WGQIWLRAUJOQHC-UHFFFAOYSA-N
Compound name
3-ethyl-5-methoxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

164.08372 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.09100 131.9
[M+Na]+ 187.07294 141.1
[M-H]- 163.07644 136.2
[M+NH4]+ 182.11754 153.3
[M+K]+ 203.04688 139.6
[M+H-H2O]+ 147.08098 126.6
[M+HCOO]- 209.08192 156.9
[M+CH3COO]- 223.09757 179.8
[M+Na-2H]- 185.05839 138.4
[M]+ 164.08317 135.3
[M]- 164.08427 135.3
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