CID 322304

2h-chromene-3-carboxylic acid

Structural Information

Molecular Formula
C10H8O3
SMILES
C1C(=CC2=CC=CC=C2O1)C(=O)O
InChI
InChI=1S/C10H8O3/c11-10(12)8-5-7-3-1-2-4-9(7)13-6-8/h1-5H,6H2,(H,11,12)
InChIKey
DEBZQUFVQZPPLC-UHFFFAOYSA-N
Compound name
2H-chromene-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

574
Patents

176.04735 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.05463 133.4
[M+Na]+ 199.03657 146.8
[M+NH4]+ 194.08117 142.2
[M+K]+ 215.01051 141.2
[M-H]- 175.04007 136.8
[M+Na-2H]- 197.02202 139.5
[M]+ 176.04680 136.2
[M]- 176.04790 136.2
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