CID 170914855

3-(2,5-dimethoxy-4-methylphenyl)prop-2-enal

Structural Information

Molecular Formula
C12H14O3
SMILES
CC1=CC(=C(C=C1OC)C=CC=O)OC
InChI
InChI=1S/C12H14O3/c1-9-7-12(15-3)10(5-4-6-13)8-11(9)14-2/h4-8H,1-3H3
InChIKey
NGNREFWXTWXNGW-UHFFFAOYSA-N
Compound name
3-(2,5-dimethoxy-4-methylphenyl)prop-2-enal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.0943 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.10158 142.3
[M+Na]+ 229.08352 151.9
[M-H]- 205.08702 146.6
[M+NH4]+ 224.12812 162.2
[M+K]+ 245.05746 149.8
[M+H-H2O]+ 189.09156 136.7
[M+HCOO]- 251.09250 167.1
[M+CH3COO]- 265.10815 187.5
[M+Na-2H]- 227.06897 147.1
[M]+ 206.09375 147.5
[M]- 206.09485 147.5
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

No patent data available for this compound.