CID 62375

Benzaldehyde dimethyl acetal

Structural Information

Molecular Formula
C9H12O2
SMILES
COC(C1=CC=CC=C1)OC
InChI
InChI=1S/C9H12O2/c1-10-9(11-2)8-6-4-3-5-7-8/h3-7,9H,1-2H3
InChIKey
HEVMDQBCAHEHDY-UHFFFAOYSA-N
Compound name
dimethoxymethylbenzene
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

23
References

11337
Patents

152.08372 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.09100 130.7
[M+Na]+ 175.07294 137.8
[M-H]- 151.07644 134.3
[M+NH4]+ 170.11754 151.8
[M+K]+ 191.04688 137.5
[M+H-H2O]+ 135.08098 125.0
[M+HCOO]- 197.08192 154.8
[M+CH3COO]- 211.09757 176.2
[M+Na-2H]- 173.05839 137.7
[M]+ 152.08317 132.9
[M]- 152.08427 132.9
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

No patent data available for this compound.