CID 11569

3-methoxybenzaldehyde

Structural Information

Molecular Formula
C8H8O2
SMILES
COC1=CC=CC(=C1)C=O
InChI
InChI=1S/C8H8O2/c1-10-8-4-2-3-7(5-8)6-9/h2-6H,1H3
InChIKey
WMPDAIZRQDCGFH-UHFFFAOYSA-N
Compound name
3-methoxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

45
References

9704
Patents

136.05243 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.05971 124.8
[M+Na]+ 159.04165 138.6
[M+NH4]+ 154.08625 133.9
[M+K]+ 175.01559 131.9
[M-H]- 135.04515 127.2
[M+Na-2H]- 157.02710 132.8
[M]+ 136.05188 127.4
[M]- 136.05298 127.4
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