CID 66573

9-ethyl-3-nitrocarbazole

Structural Information

Molecular Formula
C14H12N2O2
SMILES
CCN1C2=C(C=C(C=C2)[N+](=O)[O-])C3=CC=CC=C31
InChI
InChI=1S/C14H12N2O2/c1-2-15-13-6-4-3-5-11(13)12-9-10(16(17)18)7-8-14(12)15/h3-9H,2H2,1H3
InChIKey
WONHLSYSHMRRGO-UHFFFAOYSA-N
Compound name
9-ethyl-3-nitrocarbazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

8
References

388
Patents

240.08987 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.09715 151.1
[M+Na]+ 263.07909 160.9
[M-H]- 239.08259 156.2
[M+NH4]+ 258.12369 170.8
[M+K]+ 279.05303 152.5
[M+H-H2O]+ 223.08713 148.7
[M+HCOO]- 285.08807 175.5
[M+CH3COO]- 299.10372 188.8
[M+Na-2H]- 261.06454 160.3
[M]+ 240.08932 152.9
[M]- 240.09042 152.9
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