CID 5357661

Nsc83584

Structural Information

Molecular Formula
C11H12O2
SMILES
CCC(=O)/C=C/C1=CC=CC=C1O
InChI
InChI=1S/C11H12O2/c1-2-10(12)8-7-9-5-3-4-6-11(9)13/h3-8,13H,2H2,1H3/b8-7+
InChIKey
XBLWZVSUHRIEPQ-BQYQJAHWSA-N
Compound name
(E)-1-(2-hydroxyphenyl)pent-1-en-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

176.08372 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.09100 138.6
[M+Na]+ 199.07294 150.9
[M+NH4]+ 194.11754 146.4
[M+K]+ 215.04688 144.4
[M-H]- 175.07644 139.8
[M+Na-2H]- 197.05839 144.5
[M]+ 176.08317 140.5
[M]- 176.08427 140.5
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