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

50
Patents

208.10994 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.11722 143.7
[M+Na]+ 231.09916 152.6
[M-H]- 207.10266 148.0
[M+NH4]+ 226.14376 163.4
[M+K]+ 247.07310 151.6
[M+H-H2O]+ 191.10720 138.0
[M+HCOO]- 253.10814 167.2
[M+CH3COO]- 267.12379 189.9
[M+Na-2H]- 229.08461 147.2
[M]+ 208.10939 149.0
[M]- 208.11049 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