CID 929130

15128-52-6

Structural Information

Molecular Formula
C12H11NO
SMILES
C1CC2=C(C(=O)C1)C3=CC=CC=C3N2
InChI
InChI=1S/C12H11NO/c14-11-7-3-6-10-12(11)8-4-1-2-5-9(8)13-10/h1-2,4-5,13H,3,6-7H2
InChIKey
DSXKDTZEIWTHRO-UHFFFAOYSA-N
Compound name
1,2,3,9-tetrahydrocarbazol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

213
Patents

185.08406 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.09134 137.9
[M+Na]+ 208.07328 151.9
[M+NH4]+ 203.11788 147.9
[M+K]+ 224.04722 145.9
[M-H]- 184.07678 140.5
[M+Na-2H]- 206.05873 144.0
[M]+ 185.08351 140.6
[M]- 185.08461 140.6
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