CID 10679712

Ethanone, 1-[4-[(3-methyl-2-butenyl)oxy]phenyl]-

Structural Information

Molecular Formula
C13H16O2
SMILES
CC(=CCOC1=CC=C(C=C1)C(=O)C)C
InChI
InChI=1S/C13H16O2/c1-10(2)8-9-15-13-6-4-12(5-7-13)11(3)14/h4-8H,9H2,1-3H3
InChIKey
XOZOYJQWZNNARY-UHFFFAOYSA-N
Compound name
1-[4-(3-methylbut-2-enoxy)phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

204.11504 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.12232 145.9
[M+Na]+ 227.10426 152.7
[M-H]- 203.10776 149.4
[M+NH4]+ 222.14886 165.1
[M+K]+ 243.07820 150.7
[M+H-H2O]+ 187.11230 140.0
[M+HCOO]- 249.11324 168.1
[M+CH3COO]- 263.12889 187.8
[M+Na-2H]- 225.08971 148.9
[M]+ 204.11449 147.8
[M]- 204.11559 147.8
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