CID 361615

Nsc624800

Structural Information

Molecular Formula
C12H10O3
SMILES
COC1=C2C=CC=CC(=O)C2=C(C=C1)O
InChI
InChI=1S/C12H10O3/c1-15-11-7-6-10(14)12-8(11)4-2-3-5-9(12)13/h2-7,14H,1H3
InChIKey
ZLUYWOMUAFRABD-UHFFFAOYSA-N
Compound name
4-hydroxy-1-methoxybenzo[7]annulen-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.06299 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.07027 136.1
[M+Na]+ 225.05221 145.4
[M-H]- 201.05571 141.9
[M+NH4]+ 220.09681 155.2
[M+K]+ 241.02615 147.3
[M+H-H2O]+ 185.06025 132.4
[M+HCOO]- 247.06119 159.6
[M+CH3COO]- 261.07684 185.3
[M+Na-2H]- 223.03766 144.1
[M]+ 202.06244 137.1
[M]- 202.06354 137.1
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.