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

1
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

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