CID 708253

4-isopropoxy-3-methoxybenzaldehyde

Structural Information

Molecular Formula
C11H14O3
SMILES
CC(C)OC1=C(C=C(C=C1)C=O)OC
InChI
InChI=1S/C11H14O3/c1-8(2)14-10-5-4-9(7-12)6-11(10)13-3/h4-8H,1-3H3
InChIKey
BSVXIKDDVDCMIO-UHFFFAOYSA-N
Compound name
3-methoxy-4-propan-2-yloxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

112
Patents

194.0943 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.10158 140.0
[M+Na]+ 217.08352 148.4
[M-H]- 193.08702 144.1
[M+NH4]+ 212.12812 159.9
[M+K]+ 233.05746 147.6
[M+H-H2O]+ 177.09156 134.3
[M+HCOO]- 239.09250 163.9
[M+CH3COO]- 253.10815 185.7
[M+Na-2H]- 215.06897 144.7
[M]+ 194.09375 144.5
[M]- 194.09485 144.5
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

patents stripe