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

13
Patents

160.05243 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.05971 131.2
[M+Na]+ 183.04165 143.3
[M-H]- 159.04515 140.0
[M+NH4]+ 178.08625 151.1
[M+K]+ 199.01559 141.7
[M+H-H2O]+ 143.04969 126.5
[M+HCOO]- 205.05063 153.8
[M+CH3COO]- 219.06628 146.4
[M+Na-2H]- 181.02710 140.4
[M]+ 160.05188 134.9
[M]- 160.05298 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