CID 11241634

Clausine o

Structural Information

Molecular Formula
C13H9NO3
SMILES
C1=CC2=C(C=C1O)NC3=C2C=C(C(=C3)O)C=O
InChI
InChI=1S/C13H9NO3/c15-6-7-3-10-9-2-1-8(16)4-11(9)14-12(10)5-13(7)17/h1-6,14,16-17H
InChIKey
RTRVKTRUQDUIKV-UHFFFAOYSA-N
Compound name
2,7-dihydroxy-9H-carbazole-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

1
Patents

227.05824 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.06552 146.0
[M+Na]+ 250.04746 157.9
[M-H]- 226.05096 147.8
[M+NH4]+ 245.09206 165.5
[M+K]+ 266.02140 151.9
[M+H-H2O]+ 210.05550 140.7
[M+HCOO]- 272.05644 166.1
[M+CH3COO]- 286.07209 159.2
[M+Na-2H]- 248.03291 152.7
[M]+ 227.05769 147.5
[M]- 227.05879 147.5
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