CID 361606

Nsc624791

Structural Information

Molecular Formula
C15H14O5
SMILES
CC(C(=O)O)OC1=C2C(=C(C=C1)OC)C=CC=CC2=O
InChI
InChI=1S/C15H14O5/c1-9(15(17)18)20-13-8-7-12(19-2)10-5-3-4-6-11(16)14(10)13/h3-9H,1-2H3,(H,17,18)
InChIKey
KEMGBYCHTLGPRT-UHFFFAOYSA-N
Compound name
2-(1-methoxy-5-oxobenzo[7]annulen-4-yl)oxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.08414 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.09142 153.5
[M+Na]+ 297.07336 161.0
[M-H]- 273.07686 158.9
[M+NH4]+ 292.11796 169.4
[M+K]+ 313.04730 164.4
[M+H-H2O]+ 257.08140 149.0
[M+HCOO]- 319.08234 174.7
[M+CH3COO]- 333.09799 198.8
[M+Na-2H]- 295.05881 157.9
[M]+ 274.08359 156.4
[M]- 274.08469 156.4
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.