CID 6436620

3-isobutylidenephthalide

Structural Information

Molecular Formula
C12H12O2
SMILES
CC(C)/C=C/1\C2=CC=CC=C2C(=O)O1
InChI
InChI=1S/C12H12O2/c1-8(2)7-11-9-5-3-4-6-10(9)12(13)14-11/h3-8H,1-2H3/b11-7+
InChIKey
LYSNVWBBICAAMS-YRNVUSSQSA-N
Compound name
(3E)-3-(2-methylpropylidene)-2-benzofuran-1-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

2
Patents

188.08372 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.09100 139.9
[M+Na]+ 211.07294 152.3
[M+NH4]+ 206.11754 148.8
[M+K]+ 227.04688 147.9
[M-H]- 187.07644 143.0
[M+Na-2H]- 209.05839 144.3
[M]+ 188.08317 142.5
[M]- 188.08427 142.5
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.