CID 6446394

58344-35-7

Structural Information

Molecular Formula
C15H18O3
SMILES
CC(C)(C)C(=O)/C=C/C1=CC2=C(C=C1)OCCO2
InChI
InChI=1S/C15H18O3/c1-15(2,3)14(16)7-5-11-4-6-12-13(10-11)18-9-8-17-12/h4-7,10H,8-9H2,1-3H3/b7-5+
InChIKey
AXZABNFIPMYYKU-FNORWQNLSA-N
Compound name
(E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,4-dimethylpent-1-en-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.1256 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.13288 156.1
[M+Na]+ 269.11482 162.3
[M-H]- 245.11832 161.3
[M+NH4]+ 264.15942 172.0
[M+K]+ 285.08876 162.0
[M+H-H2O]+ 229.12286 150.2
[M+HCOO]- 291.12380 172.4
[M+CH3COO]- 305.13945 193.3
[M+Na-2H]- 267.10027 163.1
[M]+ 246.12505 157.4
[M]- 246.12615 157.4
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

No patent data available for this compound.