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

126
Patents

150.06808 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.07536 128.1
[M+Na]+ 173.05730 136.7
[M-H]- 149.06080 132.1
[M+NH4]+ 168.10190 149.6
[M+K]+ 189.03124 135.4
[M+H-H2O]+ 133.06534 122.7
[M+HCOO]- 195.06628 153.4
[M+CH3COO]- 209.08193 175.6
[M+Na-2H]- 171.04275 135.8
[M]+ 150.06753 130.6
[M]- 150.06863 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