CID 31211

Zingerone

Structural Information

Molecular Formula
C11H14O3
SMILES
CC(=O)CCC1=CC(=C(C=C1)O)OC
InChI
InChI=1S/C11H14O3/c1-8(12)3-4-9-5-6-10(13)11(7-9)14-2/h5-7,13H,3-4H2,1-2H3
InChIKey
OJYLAHXKWMRDGS-UHFFFAOYSA-N
Compound name
4-(4-hydroxy-3-methoxyphenyl)butan-2-one
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

247
References

12072
Patents

194.0943 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.10158 140.9
[M+Na]+ 217.08352 148.8
[M-H]- 193.08702 143.5
[M+NH4]+ 212.12812 160.1
[M+K]+ 233.05746 147.1
[M+H-H2O]+ 177.09156 135.3
[M+HCOO]- 239.09250 163.2
[M+CH3COO]- 253.10815 183.1
[M+Na-2H]- 215.06897 145.0
[M]+ 194.09375 143.4
[M]- 194.09485 143.4
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