CID 258747

6-nitro-2,3,4,9-tetrahydro-1h-carbazole

Structural Information

Molecular Formula
C12H12N2O2
SMILES
C1CCC2=C(C1)C3=C(N2)C=CC(=C3)[N+](=O)[O-]
InChI
InChI=1S/C12H12N2O2/c15-14(16)8-5-6-12-10(7-8)9-3-1-2-4-11(9)13-12/h5-7,13H,1-4H2
InChIKey
IROFVXNXPDWNEU-UHFFFAOYSA-N
Compound name
6-nitro-2,3,4,9-tetrahydro-1H-carbazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

100
Patents

216.08987 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.09715 143.0
[M+Na]+ 239.07909 150.4
[M-H]- 215.08259 145.9
[M+NH4]+ 234.12369 162.5
[M+K]+ 255.05303 141.9
[M+H-H2O]+ 199.08713 141.1
[M+HCOO]- 261.08807 163.8
[M+CH3COO]- 275.10372 179.5
[M+Na-2H]- 237.06454 151.8
[M]+ 216.08932 139.1
[M]- 216.09042 139.1
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

patents stripe