CID 3052012

2-benzylaminomethyl-1,2,3,4-tetrahydroquinoline hydrochloride

Structural Information

Molecular Formula
C17H20N2
SMILES
C1CC2=CC=CC=C2NC1CNCC3=CC=CC=C3
InChI
InChI=1S/C17H20N2/c1-2-6-14(7-3-1)12-18-13-16-11-10-15-8-4-5-9-17(15)19-16/h1-9,16,18-19H,10-13H2
InChIKey
CBGYYWNUQKOMIC-UHFFFAOYSA-N
Compound name
N-benzyl-1-(1,2,3,4-tetrahydroquinolin-2-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

252.16264 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.169916 157.8
[M+Na]+ 275.151858 162.1
[M-H]- 251.155364 161.3
[M+NH4]+ 270.196463 172.9
[M+K]+ 291.125798 155.8
[M+H-H2O]+ 235.159900 148.9
[M+HCOO]- 297.160841 176.3
[M+CH3COO]- 311.176491 167.7
[M+Na-2H]- 273.137306 164.9
[M]+ 252.16209142 152.0
[M]- 252.16318858 152.0
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

patents stripe