CID 283285

4-methoxy-2-methylbenzaldehyde

Structural Information

Molecular Formula
C9H10O2
SMILES
CC1=C(C=CC(=C1)OC)C=O
InChI
InChI=1S/C9H10O2/c1-7-5-9(11-2)4-3-8(7)6-10/h3-6H,1-2H3
InChIKey
WICYVKGMEJSDAO-UHFFFAOYSA-N
Compound name
4-methoxy-2-methylbenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

442
Patents

150.06808 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.07536 128.8
[M+Na]+ 173.05730 142.8
[M+NH4]+ 168.10190 137.8
[M+K]+ 189.03124 136.0
[M-H]- 149.06080 131.2
[M+Na-2H]- 171.04275 136.3
[M]+ 150.06753 131.5
[M]- 150.06863 131.5
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