CID 259653

1132-05-4

Structural Information

Molecular Formula
C11H12O2
SMILES
CC(=O)C1=CC(=C(C=C1)O)CC=C
InChI
InChI=1S/C11H12O2/c1-3-4-10-7-9(8(2)12)5-6-11(10)13/h3,5-7,13H,1,4H2,2H3
InChIKey
XVTCWUFLNLZPEJ-UHFFFAOYSA-N
Compound name
1-(4-hydroxy-3-prop-2-enylphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

176
Patents

176.08372 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.09100 136.1
[M+Na]+ 199.07294 144.5
[M-H]- 175.07644 138.9
[M+NH4]+ 194.11754 156.0
[M+K]+ 215.04688 141.6
[M+H-H2O]+ 159.08098 131.0
[M+HCOO]- 221.08192 158.4
[M+CH3COO]- 235.09757 180.1
[M+Na-2H]- 197.05839 140.3
[M]+ 176.08317 136.5
[M]- 176.08427 136.5
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