CID 82644469

2,5-dimethyl-4-propoxybenzaldehyde

Structural Information

Molecular Formula
C12H16O2
SMILES
CCCOC1=CC(=C(C=C1C)C=O)C
InChI
InChI=1S/C12H16O2/c1-4-5-14-12-7-9(2)11(8-13)6-10(12)3/h6-8H,4-5H2,1-3H3
InChIKey
DVCPJFWKMZFNQL-UHFFFAOYSA-N
Compound name
2,5-dimethyl-4-propoxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.11504 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.12232 140.5
[M+Na]+ 215.10426 149.7
[M-H]- 191.10776 144.7
[M+NH4]+ 210.14886 161.0
[M+K]+ 231.07820 147.7
[M+H-H2O]+ 175.11230 135.0
[M+HCOO]- 237.11324 164.8
[M+CH3COO]- 251.12889 187.0
[M+Na-2H]- 213.08971 145.2
[M]+ 192.11449 144.9
[M]- 192.11559 144.9
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.