CID 482712

4-hydroxy-4-(1h-indol-2-yl)cyclohexa-2,5-dien-1-one

Structural Information

Molecular Formula
C14H11NO2
SMILES
C1=CC=C2C(=C1)C=C(N2)C3(C=CC(=O)C=C3)O
InChI
InChI=1S/C14H11NO2/c16-11-5-7-14(17,8-6-11)13-9-10-3-1-2-4-12(10)15-13/h1-9,15,17H
InChIKey
LUFNDEABXKJGRX-UHFFFAOYSA-N
Compound name
4-hydroxy-4-(1H-indol-2-yl)cyclohexa-2,5-dien-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

9
Patents

225.07898 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.08626 148.0
[M+Na]+ 248.06820 158.3
[M-H]- 224.07170 152.8
[M+NH4]+ 243.11280 168.4
[M+K]+ 264.04214 152.5
[M+H-H2O]+ 208.07624 141.4
[M+HCOO]- 270.07718 169.4
[M+CH3COO]- 284.09283 161.1
[M+Na-2H]- 246.05365 155.2
[M]+ 225.07843 146.9
[M]- 225.07953 146.9
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.