CID 13329531

Brn 5974743

Structural Information

Molecular Formula
C17H18O4
SMILES
CC(=CCOC1=C(C=CC2=C1C(=O)C3(O2)CC3)C(=O)C)C
InChI
InChI=1S/C17H18O4/c1-10(2)6-9-20-15-12(11(3)18)4-5-13-14(15)16(19)17(21-13)7-8-17/h4-6H,7-9H2,1-3H3
InChIKey
RPOAWLSRGPZFBK-UHFFFAOYSA-N
Compound name
5-acetyl-4-(3-methylbut-2-enoxy)spiro[1-benzofuran-2,1'-cyclopropane]-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.1205 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.12778 165.2
[M+Na]+ 309.10972 175.7
[M-H]- 285.11322 173.5
[M+NH4]+ 304.15432 180.3
[M+K]+ 325.08366 172.9
[M+H-H2O]+ 269.11776 160.5
[M+HCOO]- 331.11870 184.0
[M+CH3COO]- 345.13435 204.3
[M+Na-2H]- 307.09517 167.7
[M]+ 286.11995 172.4
[M]- 286.12105 172.4
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.