CID 13633787

1-propanone, 1-(2-(2-propen-1-yloxy)phenyl)-

Structural Information

Molecular Formula
C12H14O2
SMILES
CCC(=O)C1=CC=CC=C1OCC=C
InChI
InChI=1S/C12H14O2/c1-3-9-14-12-8-6-5-7-10(12)11(13)4-2/h3,5-8H,1,4,9H2,2H3
InChIKey
XPHJGGYXHMULDU-UHFFFAOYSA-N
Compound name
1-(2-prop-2-enoxyphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

190.09938 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.10666 141.0
[M+Na]+ 213.08860 148.4
[M-H]- 189.09210 144.6
[M+NH4]+ 208.13320 160.7
[M+K]+ 229.06254 146.1
[M+H-H2O]+ 173.09664 135.1
[M+HCOO]- 235.09758 164.5
[M+CH3COO]- 249.11323 184.6
[M+Na-2H]- 211.07405 145.8
[M]+ 190.09883 143.3
[M]- 190.09993 143.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe