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]+ 193.122316 140.5
[M+Na]+ 215.104258 149.7
[M-H]- 191.107764 144.7
[M+NH4]+ 210.148863 161.0
[M+K]+ 231.078198 147.7
[M+H-H2O]+ 175.112300 135.0
[M+HCOO]- 237.113241 164.8
[M+CH3COO]- 251.128891 187.0
[M+Na-2H]- 213.089706 145.2
[M]+ 192.11449142 144.9
[M]- 192.11558858 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.