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]+ 255.13796 157.3
[M+Na]+ 277.11990 166.6
[M-H]- 253.12340 164.8
[M+NH4]+ 272.16450 175.0
[M+K]+ 293.09384 162.7
[M+H-H2O]+ 237.12794 150.0
[M+HCOO]- 299.12888 181.4
[M+CH3COO]- 313.14453 198.9
[M+Na-2H]- 275.10535 161.0
[M]+ 254.13013 161.2
[M]- 254.13123 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.