CID 5469352

Nsc686965

Structural Information

Molecular Formula
C17H18O2
SMILES
C/C=C/1\CC2C(CCC2=O)C3C1OC4=CC=CC=C34
InChI
InChI=1S/C17H18O2/c1-2-10-9-13-11(7-8-14(13)18)16-12-5-3-4-6-15(12)19-17(10)16/h2-6,11,13,16-17H,7-9H2,1H3/b10-2+
InChIKey
YXLYWUVAEIQGLX-WTDSWWLTSA-N
Compound name
(5E)-5-ethylidene-2,3a,4,5a,10b,10c-hexahydro-1H-indeno[5,4-b][1]benzofuran-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

254.13068 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.13796 158.4
[M+Na]+ 277.11990 166.6
[M-H]- 253.12340 165.0
[M+NH4]+ 272.16450 181.1
[M+K]+ 293.09384 162.0
[M+H-H2O]+ 237.12794 153.9
[M+HCOO]- 299.12888 175.2
[M+CH3COO]- 313.14453 170.8
[M+Na-2H]- 275.10535 159.6
[M]+ 254.13013 156.6
[M]- 254.13123 156.6
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

patents stripe