CID 853608

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

Structural Information

Molecular Formula
C14H13NO2
SMILES
CC(=O)N1C2=CC=CC=C2C3=C1C(=O)CCC3
InChI
InChI=1S/C14H13NO2/c1-9(16)15-12-7-3-2-5-10(12)11-6-4-8-13(17)14(11)15/h2-3,5,7H,4,6,8H2,1H3
InChIKey
MIGJEXKBUJPKJF-UHFFFAOYSA-N
Compound name
9-acetyl-3,4-dihydro-2H-carbazol-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

20
Patents

227.09464 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.10192 148.6
[M+Na]+ 250.08386 158.6
[M-H]- 226.08736 153.2
[M+NH4]+ 245.12846 169.7
[M+K]+ 266.05780 154.4
[M+H-H2O]+ 210.09190 142.2
[M+HCOO]- 272.09284 169.0
[M+CH3COO]- 286.10849 161.9
[M+Na-2H]- 248.06931 153.3
[M]+ 227.09409 149.5
[M]- 227.09519 149.5
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