CID 71514785

Sedanonic anhydride

Structural Information

Molecular Formula
C12H16O2
SMILES
CCC/C=C/1\C2=C(CCCC2)C(=O)O1
InChI
InChI=1S/C12H16O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h8H,2-7H2,1H3/b11-8+
InChIKey
YHOZXUUDDDOBKS-DHZHZOJOSA-N
Compound name
(3E)-3-butylidene-4,5,6,7-tetrahydro-2-benzofuran-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.11504 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.12232 143.2
[M+Na]+ 215.10426 154.1
[M+NH4]+ 210.14886 152.0
[M+K]+ 231.07820 149.2
[M-H]- 191.10776 146.1
[M+Na-2H]- 213.08971 146.0
[M]+ 192.11449 145.4
[M]- 192.11559 145.4
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.