CID 28825729

3,5-dimethyl-4-[(2-methylphenyl)methoxy]benzaldehyde

Structural Information

Molecular Formula
C17H18O2
SMILES
CC1=CC=CC=C1COC2=C(C=C(C=C2C)C=O)C
InChI
InChI=1S/C17H18O2/c1-12-6-4-5-7-16(12)11-19-17-13(2)8-15(10-18)9-14(17)3/h4-10H,11H2,1-3H3
InChIKey
CKVOMWJCRSXXOB-UHFFFAOYSA-N
Compound name
3,5-dimethyl-4-[(2-methylphenyl)methoxy]benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.13068 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.137956 157.3
[M+Na]+ 277.119898 166.6
[M-H]- 253.123404 164.8
[M+NH4]+ 272.164503 175.0
[M+K]+ 293.093838 162.7
[M+H-H2O]+ 237.127940 150.0
[M+HCOO]- 299.128881 181.4
[M+CH3COO]- 313.144531 198.9
[M+Na-2H]- 275.105346 161.0
[M]+ 254.13013142 161.2
[M]- 254.13122858 161.2
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

No patent data available for this compound.