CID 3055472

Brn 5732863

Structural Information

Molecular Formula
C10H8O2
SMILES
C1CC12C(=O)C3=CC=CC=C3O2
InChI
InChI=1S/C10H8O2/c11-9-7-3-1-2-4-8(7)12-10(9)5-6-10/h1-4H,5-6H2
InChIKey
TVNIWLZLXRXNAJ-UHFFFAOYSA-N
Compound name
spiro[1-benzofuran-2,1'-cyclopropane]-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

160.05243 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.059706 131.2
[M+Na]+ 183.041648 143.3
[M-H]- 159.045154 140.0
[M+NH4]+ 178.086253 151.1
[M+K]+ 199.015588 141.7
[M+H-H2O]+ 143.049690 126.5
[M+HCOO]- 205.050631 153.8
[M+CH3COO]- 219.066281 146.4
[M+Na-2H]- 181.027096 140.4
[M]+ 160.05188142 134.9
[M]- 160.05297858 134.9
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