CID 10909777

1(3h)-isobenzofuranone, 4,5,6,7-tetrahydro-3-hydroxy-

Structural Information

Molecular Formula
C8H10O3
SMILES
C1CCC2=C(C1)C(OC2=O)O
InChI
InChI=1S/C8H10O3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h7,9H,1-4H2
InChIKey
IQGNSMPKOZXGDM-UHFFFAOYSA-N
Compound name
3-hydroxy-4,5,6,7-tetrahydro-3H-2-benzofuran-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

154.06299 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.07027 129.1
[M+Na]+ 177.05221 139.7
[M+NH4]+ 172.09681 137.9
[M+K]+ 193.02615 136.7
[M-H]- 153.05571 131.3
[M+Na-2H]- 175.03766 132.0
[M]+ 154.06244 131.0
[M]- 154.06354 131.0
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