CID 3065113

106824-79-7

Structural Information

Molecular Formula
C12H11NO2
SMILES
C1CCC2=C(C1)C=CC3=C2C(=O)C(=O)N3
InChI
InChI=1S/C12H11NO2/c14-11-10-8-4-2-1-3-7(8)5-6-9(10)13-12(11)15/h5-6H,1-4H2,(H,13,14,15)
InChIKey
RWQWYVPKPNFYMF-UHFFFAOYSA-N
Compound name
6,7,8,9-tetrahydro-3H-benzo[e]indole-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.07898 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.086256 141.7
[M+Na]+ 224.068198 150.3
[M-H]- 200.071704 144.3
[M+NH4]+ 219.112803 162.8
[M+K]+ 240.042138 145.6
[M+H-H2O]+ 184.076240 135.8
[M+HCOO]- 246.077181 159.3
[M+CH3COO]- 260.092831 154.2
[M+Na-2H]- 222.053646 146.3
[M]+ 201.07843142 137.9
[M]- 201.07952858 137.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.