CID 268577

14293-24-4

Structural Information

Molecular Formula
C11H14O3
SMILES
CC(=O)CC1=C(C=CC(=C1)OC)OC
InChI
InChI=1S/C11H14O3/c1-8(12)6-9-7-10(13-2)4-5-11(9)14-3/h4-5,7H,6H2,1-3H3
InChIKey
RUCPISZJMCQMPY-UHFFFAOYSA-N
Compound name
1-(2,5-dimethoxyphenyl)propan-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

26
Patents

194.0943 Da
Monoisotopic Mass

1.5
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

literature stripe

Patent stripe

patents stripe