CID 13574685

87771-42-4

Structural Information

Molecular Formula
C11H12O
SMILES
CC(=C)C1=CC(=CC=C1)C(=O)C
InChI
InChI=1S/C11H12O/c1-8(2)10-5-4-6-11(7-10)9(3)12/h4-7H,1H2,2-3H3
InChIKey
CDWRSUNYLNEVTA-UHFFFAOYSA-N
Compound name
1-(3-prop-1-en-2-ylphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

160.08882 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.096096 132.6
[M+Na]+ 183.078038 140.3
[M-H]- 159.081544 136.5
[M+NH4]+ 178.122643 153.6
[M+K]+ 199.051978 138.2
[M+H-H2O]+ 143.086080 127.4
[M+HCOO]- 205.087021 155.3
[M+CH3COO]- 219.102671 180.5
[M+Na-2H]- 181.063486 136.8
[M]+ 160.08827142 132.5
[M]- 160.08936858 132.5
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