CID 6446418

58344-83-5

Structural Information

Molecular Formula
C15H18O4
SMILES
CC(C)(C)C(=O)/C=C/C1=CC2=C(C=C1OC)OCO2
InChI
InChI=1S/C15H18O4/c1-15(2,3)14(16)6-5-10-7-12-13(19-9-18-12)8-11(10)17-4/h5-8H,9H2,1-4H3/b6-5+
InChIKey
TXELCICVIOTPKC-AATRIKPKSA-N
Compound name
(E)-1-(6-methoxy-1,3-benzodioxol-5-yl)-4,4-dimethylpent-1-en-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.1205 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.12778 158.7
[M+Na]+ 285.10972 169.5
[M+NH4]+ 280.15432 165.5
[M+K]+ 301.08366 167.1
[M-H]- 261.11322 161.3
[M+Na-2H]- 283.09517 160.8
[M]+ 262.11995 160.9
[M]- 262.12105 160.9
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.