CID 2733541

4,5,6,7-tetrahydro-1-benzofuran-4-one

Structural Information

Molecular Formula
C8H8O2
SMILES
C1CC2=C(C=CO2)C(=O)C1
InChI
InChI=1S/C8H8O2/c9-7-2-1-3-8-6(7)4-5-10-8/h4-5H,1-3H2
InChIKey
DXWQOYPYNPSVRL-UHFFFAOYSA-N
Compound name
6,7-dihydro-5H-1-benzofuran-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

541
Patents

136.05243 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.05971 123.0
[M+Na]+ 159.04165 131.5
[M-H]- 135.04515 128.3
[M+NH4]+ 154.08625 146.4
[M+K]+ 175.01559 131.0
[M+H-H2O]+ 119.04969 118.5
[M+HCOO]- 181.05063 145.5
[M+CH3COO]- 195.06628 170.6
[M+Na-2H]- 157.02710 130.8
[M]+ 136.05188 122.4
[M]- 136.05298 122.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe