CID 5469020

Nsc681848

Structural Information

Molecular Formula
C14H12O5
SMILES
C/C=C(\C)/C(=O)C1=C(C=C(C2=C1OC(=O)C=C2)O)O
InChI
InChI=1S/C14H12O5/c1-3-7(2)13(18)12-10(16)6-9(15)8-4-5-11(17)19-14(8)12/h3-6,15-16H,1-2H3/b7-3+
InChIKey
YBTNTVKRYYNDFA-XVNBXDOJSA-N
Compound name
5,7-dihydroxy-8-[(E)-2-methylbut-2-enoyl]chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.06848 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.07576 153.4
[M+Na]+ 283.05770 163.0
[M-H]- 259.06120 157.0
[M+NH4]+ 278.10230 169.1
[M+K]+ 299.03164 160.7
[M+H-H2O]+ 243.06574 147.7
[M+HCOO]- 305.06668 171.8
[M+CH3COO]- 319.08233 193.2
[M+Na-2H]- 281.04315 157.2
[M]+ 260.06793 156.3
[M]- 260.06903 156.3
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.