CID 11094797

3-methoxy-5-methylbenzaldehyde

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

131
Patents

150.06808 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.075356 127.2
[M+Na]+ 173.057298 136.8
[M-H]- 149.060804 131.6
[M+NH4]+ 168.101903 149.1
[M+K]+ 189.031238 135.5
[M+H-H2O]+ 133.065340 122.1
[M+HCOO]- 195.066281 152.5
[M+CH3COO]- 209.081931 176.7
[M+Na-2H]- 171.042746 134.3
[M]+ 150.06753142 130.2
[M]- 150.06862858 130.2
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