CID 10909777

117436-83-6

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

34
Patents

154.06299 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.070266 128.1
[M+Na]+ 177.052208 136.0
[M-H]- 153.055714 131.9
[M+NH4]+ 172.096813 150.2
[M+K]+ 193.026148 135.2
[M+H-H2O]+ 137.060250 123.9
[M+HCOO]- 199.061191 147.8
[M+CH3COO]- 213.076841 171.7
[M+Na-2H]- 175.037656 133.9
[M]+ 154.06244142 126.1
[M]- 154.06353858 126.1
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