CID 596058

4-methoxy-2,3-dimethylbenzaldehyde

Structural Information

Molecular Formula
C10H12O2
SMILES
CC1=C(C=CC(=C1C)OC)C=O
InChI
InChI=1S/C10H12O2/c1-7-8(2)10(12-3)5-4-9(7)6-11/h4-6H,1-3H3
InChIKey
MAFDJCNDRCNZFM-UHFFFAOYSA-N
Compound name
4-methoxy-2,3-dimethylbenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

315
Patents

164.08372 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.09100 132.9
[M+Na]+ 187.07294 147.1
[M+NH4]+ 182.11754 141.7
[M+K]+ 203.04688 140.3
[M-H]- 163.07644 135.3
[M+Na-2H]- 185.05839 140.0
[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

literature stripe

Patent stripe

patents stripe