CID 71597749

(3z)-3-butylidene-6,7-dihydroisobenzofuran-1-one

Structural Information

Molecular Formula
C12H14O2
SMILES
CCC/C=C\1/C2=C(CCC=C2)C(=O)O1
InChI
InChI=1S/C12H14O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h4,6,8H,2-3,5,7H2,1H3/b11-8-
InChIKey
IEEZMHIRSMMXSL-FLIBITNWSA-N
Compound name
(3Z)-3-butylidene-6,7-dihydro-2-benzofuran-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.09938 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.10666 140.7
[M+Na]+ 213.08860 148.8
[M-H]- 189.09210 145.7
[M+NH4]+ 208.13320 162.3
[M+K]+ 229.06254 146.6
[M+H-H2O]+ 173.09664 135.8
[M+HCOO]- 235.09758 162.0
[M+CH3COO]- 249.11323 182.4
[M+Na-2H]- 211.07405 145.7
[M]+ 190.09883 141.1
[M]- 190.09993 141.1
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.