CID 14299730

45990-12-3

Structural Information

Molecular Formula
C11H9N
SMILES
C1C2=CC=CC3=C2C(=CC=C3)N1
InChI
InChI=1S/C11H9N/c1-3-8-4-2-6-10-11(8)9(5-1)7-12-10/h1-6,12H,7H2
InChIKey
HFJHUOIVZVHBBM-UHFFFAOYSA-N
Compound name
1,2-dihydrobenzo[cd]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

195
Patents

155.0735 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.08078 129.9
[M+Na]+ 178.06272 138.9
[M-H]- 154.06622 132.2
[M+NH4]+ 173.10732 153.2
[M+K]+ 194.03666 134.3
[M+H-H2O]+ 138.07076 124.0
[M+HCOO]- 200.07170 150.3
[M+CH3COO]- 214.08735 143.6
[M+Na-2H]- 176.04817 138.9
[M]+ 155.07295 128.4
[M]- 155.07405 128.4
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