CID 81227

4-methoxy-2,5-dimethylbenzaldehyde

Structural Information

Molecular Formula
C10H12O2
SMILES
CC1=CC(=C(C=C1OC)C)C=O
InChI
InChI=1S/C10H12O2/c1-7-5-10(12-3)8(2)4-9(7)6-11/h4-6H,1-3H3
InChIKey
KYHULTSMPDXSLR-UHFFFAOYSA-N
Compound name
4-methoxy-2,5-dimethylbenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

226
Patents

164.08372 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.090996 130.9
[M+Na]+ 187.072938 141.1
[M-H]- 163.076444 135.6
[M+NH4]+ 182.117543 152.6
[M+K]+ 203.046878 139.6
[M+H-H2O]+ 147.080980 125.9
[M+HCOO]- 209.081921 155.9
[M+CH3COO]- 223.097571 181.0
[M+Na-2H]- 185.058386 136.8
[M]+ 164.08317142 134.7
[M]- 164.08426858 134.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe