CID 3085246

Evicromil

Structural Information

Molecular Formula
C14H12O5
SMILES
CCC1=CC(=C(C2=C1OC(=CC2=O)C(=O)O)O)C=C
InChI
InChI=1S/C14H12O5/c1-3-7-5-8(4-2)13-11(12(7)16)9(15)6-10(19-13)14(17)18/h3,5-6,16H,1,4H2,2H3,(H,17,18)
InChIKey
PERAJQIJYIFRDE-UHFFFAOYSA-N
Compound name
6-ethenyl-8-ethyl-5-hydroxy-4-oxochromene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

260.06848 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.07576 152.9
[M+Na]+ 283.05770 163.6
[M-H]- 259.06120 156.8
[M+NH4]+ 278.10230 168.9
[M+K]+ 299.03164 160.8
[M+H-H2O]+ 243.06574 147.2
[M+HCOO]- 305.06668 172.3
[M+CH3COO]- 319.08233 194.3
[M+Na-2H]- 281.04315 157.2
[M]+ 260.06793 156.9
[M]- 260.06903 156.9
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

No patent data available for this compound.