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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.