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

241
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 134.5
[M+Na]+ 192.07836 149.7
[M+NH4]+ 187.12296 145.7
[M+K]+ 208.05230 140.8
[M-H]- 168.08186 138.1
[M+Na-2H]- 190.06381 142.0
[M]+ 169.08859 137.8
[M]- 169.08969 137.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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