CID 584

2-hydroxychromene-2-carboxylate

Structural Information

Molecular Formula
C10H8O4
SMILES
C1=CC=C2C(=C1)C=CC(O2)(C(=O)O)O
InChI
InChI=1S/C10H8O4/c11-9(12)10(13)6-5-7-3-1-2-4-8(7)14-10/h1-6,13H,(H,11,12)
InChIKey
LGYIZQLNYONEFJ-UHFFFAOYSA-N
Compound name
2-hydroxychromene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

10
References

40
Patents

192.04225 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.04953 136.6
[M+Na]+ 215.03147 145.1
[M-H]- 191.03497 139.7
[M+NH4]+ 210.07607 156.4
[M+K]+ 231.00541 143.9
[M+H-H2O]+ 175.03951 131.7
[M+HCOO]- 237.04045 155.5
[M+CH3COO]- 251.05610 176.1
[M+Na-2H]- 213.01692 145.9
[M]+ 192.04170 136.5
[M]- 192.04280 136.5
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