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

literature stripe

Patent stripe

patents stripe