CID 11009129

4-isopropyl-3,5-dimethoxybenzaldehyde

Structural Information

Molecular Formula
C12H16O3
SMILES
CC(C)C1=C(C=C(C=C1OC)C=O)OC
InChI
InChI=1S/C12H16O3/c1-8(2)12-10(14-3)5-9(7-13)6-11(12)15-4/h5-8H,1-4H3
InChIKey
ZFQFDCIZQIYJRV-UHFFFAOYSA-N
Compound name
3,5-dimethoxy-4-propan-2-ylbenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

208.10994 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.117216 143.7
[M+Na]+ 231.099158 152.6
[M-H]- 207.102664 148.0
[M+NH4]+ 226.143763 163.4
[M+K]+ 247.073098 151.6
[M+H-H2O]+ 191.107200 138.0
[M+HCOO]- 253.108141 167.2
[M+CH3COO]- 267.123791 189.9
[M+Na-2H]- 229.084606 147.2
[M]+ 208.10939142 149.0
[M]- 208.11048858 149.0
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