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]+ 170.096416 133.8
[M+Na]+ 192.078358 141.3
[M-H]- 168.081864 135.5
[M+NH4]+ 187.122963 154.5
[M+K]+ 208.052298 136.4
[M+H-H2O]+ 152.086400 127.0
[M+HCOO]- 214.087341 151.6
[M+CH3COO]- 228.102991 146.2
[M+Na-2H]- 190.063806 144.2
[M]+ 169.08859142 130.3
[M]- 169.08968858 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

literature stripe

Patent stripe

patents stripe