CID 3808433

5,8-dimethyl-6-nitro-9h-carbazol-3-ol

Structural Information

Molecular Formula
C14H12N2O3
SMILES
CC1=CC(=C(C2=C1NC3=C2C=C(C=C3)O)C)[N+](=O)[O-]
InChI
InChI=1S/C14H12N2O3/c1-7-5-12(16(18)19)8(2)13-10-6-9(17)3-4-11(10)15-14(7)13/h3-6,15,17H,1-2H3
InChIKey
TUAGXPFZJDEELX-UHFFFAOYSA-N
Compound name
5,8-dimethyl-6-nitro-9H-carbazol-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.08478 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.09206 153.7
[M+Na]+ 279.07400 164.2
[M-H]- 255.07750 156.9
[M+NH4]+ 274.11860 171.8
[M+K]+ 295.04794 154.8
[M+H-H2O]+ 239.08204 152.3
[M+HCOO]- 301.08298 175.2
[M+CH3COO]- 315.09863 187.9
[M+Na-2H]- 277.05945 161.2
[M]+ 256.08423 154.1
[M]- 256.08533 154.1
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

No patent data available for this compound.