CID 208526

2,3-dihydro-1h-benzo[de]isoquinoline

Structural Information

Molecular Formula
C12H11N
SMILES
C1C2=CC=CC3=C2C(=CC=C3)CN1
InChI
InChI=1S/C12H11N/c1-3-9-4-2-6-11-8-13-7-10(5-1)12(9)11/h1-6,13H,7-8H2
InChIKey
NBWCGDRKSOXZNI-UHFFFAOYSA-N
Compound name
2,3-dihydro-1H-benzo[de]isoquinoline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

283
Patents

169.08914 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.09642 133.8
[M+Na]+ 192.07836 141.3
[M-H]- 168.08186 135.5
[M+NH4]+ 187.12296 154.5
[M+K]+ 208.05230 136.4
[M+H-H2O]+ 152.08640 127.0
[M+HCOO]- 214.08734 151.6
[M+CH3COO]- 228.10299 146.2
[M+Na-2H]- 190.06381 144.2
[M]+ 169.08859 130.3
[M]- 169.08969 130.3
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.