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

38
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 128.1
[M+Na]+ 177.05221 136.0
[M-H]- 153.05571 131.9
[M+NH4]+ 172.09681 150.2
[M+K]+ 193.02615 135.2
[M+H-H2O]+ 137.06025 123.9
[M+HCOO]- 199.06119 147.8
[M+CH3COO]- 213.07684 171.7
[M+Na-2H]- 175.03766 133.9
[M]+ 154.06244 126.1
[M]- 154.06354 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