CID 285865

2,3,4,9-tetrahydro-1h-carbazol-1-one

Structural Information

Molecular Formula
C12H11NO
SMILES
C1CC2=C(C(=O)C1)NC3=CC=CC=C23
InChI
InChI=1S/C12H11NO/c14-11-7-3-5-9-8-4-1-2-6-10(8)13-12(9)11/h1-2,4,6,13H,3,5,7H2
InChIKey
PDZIFGIQUYFQGK-UHFFFAOYSA-N
Compound name
2,3,4,9-tetrahydrocarbazol-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

14
References

122
Patents

185.08406 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.09134 136.9
[M+Na]+ 208.07328 146.6
[M-H]- 184.07678 140.1
[M+NH4]+ 203.11788 158.9
[M+K]+ 224.04722 141.5
[M+H-H2O]+ 168.08132 130.9
[M+HCOO]- 230.08226 157.2
[M+CH3COO]- 244.09791 150.4
[M+Na-2H]- 206.05873 144.2
[M]+ 185.08351 135.0
[M]- 185.08461 135.0
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