CID 668281

82039-84-7

Structural Information

Molecular Formula
C10H8O4
SMILES
CC1=C(C2=C(O1)C=CC(=C2)O)C(=O)O
InChI
InChI=1S/C10H8O4/c1-5-9(10(12)13)7-4-6(11)2-3-8(7)14-5/h2-4,11H,1H3,(H,12,13)
InChIKey
PMQFCQKIRJLFAS-UHFFFAOYSA-N
Compound name
5-hydroxy-2-methyl-1-benzofuran-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

9
Patents

192.04225 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.049526 135.1
[M+Na]+ 215.031468 146.3
[M-H]- 191.034974 139.3
[M+NH4]+ 210.076073 155.5
[M+K]+ 231.005408 144.6
[M+H-H2O]+ 175.039510 130.8
[M+HCOO]- 237.040451 157.6
[M+CH3COO]- 251.056101 178.2
[M+Na-2H]- 213.016916 141.4
[M]+ 192.04170142 139.0
[M]- 192.04279858 139.0
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