CID 10867037

1,2,4,9-tetrahydrocarbazol-3-one

Structural Information

Molecular Formula
C12H11NO
SMILES
C1CC2=C(CC1=O)C3=CC=CC=C3N2
InChI
InChI=1S/C12H11NO/c14-8-5-6-12-10(7-8)9-3-1-2-4-11(9)13-12/h1-4,13H,5-7H2
InChIKey
MTTUMRIEUVCVNO-UHFFFAOYSA-N
Compound name
1,2,4,9-tetrahydrocarbazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

88
Patents

185.08406 Da
Monoisotopic Mass

1.8
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