CID 16769434

246247-91-6

Structural Information

Molecular Formula
C15H16N2
SMILES
C1CN(CC2=CC=CC=C21)C3=CC=CC=C3N
InChI
InChI=1S/C15H16N2/c16-14-7-3-4-8-15(14)17-10-9-12-5-1-2-6-13(12)11-17/h1-8H,9-11,16H2
InChIKey
SRFSVLGXQUCGKN-UHFFFAOYSA-N
Compound name
2-(3,4-dihydro-1H-isoquinolin-2-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

224.13135 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.138626 150.2
[M+Na]+ 247.120568 156.9
[M-H]- 223.124074 155.5
[M+NH4]+ 242.165173 167.3
[M+K]+ 263.094508 151.6
[M+H-H2O]+ 207.128610 141.7
[M+HCOO]- 269.129551 170.3
[M+CH3COO]- 283.145201 161.8
[M+Na-2H]- 245.106016 157.0
[M]+ 224.13080142 145.1
[M]- 224.13189858 145.1
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