CID 139596559

Akm-14

Structural Information

Molecular Formula
C14H12O5
SMILES
C1=CC=C2C(=C1)C(=C(C(=O)C2=O)CCCC(=O)O)O
InChI
InChI=1S/C14H12O5/c15-11(16)7-3-6-10-12(17)8-4-1-2-5-9(8)13(18)14(10)19/h1-2,4-5,17H,3,6-7H2,(H,15,16)
InChIKey
CISYJOMDAZDQJT-UHFFFAOYSA-N
Compound name
4-(1-hydroxy-3,4-dioxonaphthalen-2-yl)butanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

260.06848 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.07576 155.4
[M+Na]+ 283.05770 167.2
[M+NH4]+ 278.10230 161.6
[M+K]+ 299.03164 162.3
[M-H]- 259.06120 155.4
[M+Na-2H]- 281.04315 158.6
[M]+ 260.06793 156.8
[M]- 260.06903 156.8
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

No patent data available for this compound.