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]+ 253.16992 157.8
[M+Na]+ 275.15186 162.1
[M-H]- 251.15536 161.3
[M+NH4]+ 270.19646 172.9
[M+K]+ 291.12580 155.8
[M+H-H2O]+ 235.15990 148.9
[M+HCOO]- 297.16084 176.3
[M+CH3COO]- 311.17649 167.7
[M+Na-2H]- 273.13731 164.9
[M]+ 252.16209 152.0
[M]- 252.16319 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