CID 12245623

3-(methoxymethyl)benzaldehyde

Structural Information

Molecular Formula
C9H10O2
SMILES
COCC1=CC(=CC=C1)C=O
InChI
InChI=1S/C9H10O2/c1-11-7-9-4-2-3-8(5-9)6-10/h2-6H,7H2,1H3
InChIKey
BQWQTLKHBHLJAQ-UHFFFAOYSA-N
Compound name
3-(methoxymethyl)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

108
Patents

150.06808 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.075356 128.1
[M+Na]+ 173.057298 136.7
[M-H]- 149.060804 132.1
[M+NH4]+ 168.101903 149.6
[M+K]+ 189.031238 135.4
[M+H-H2O]+ 133.065340 122.7
[M+HCOO]- 195.066281 153.4
[M+CH3COO]- 209.081931 175.6
[M+Na-2H]- 171.042746 135.8
[M]+ 150.06753142 130.6
[M]- 150.06862858 130.6
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