CID 14293586

2-benzyl-1,2,3,4-tetrahydroquinoline

Structural Information

Molecular Formula
C16H17N
SMILES
C1CC2=CC=CC=C2NC1CC3=CC=CC=C3
InChI
InChI=1S/C16H17N/c1-2-6-13(7-3-1)12-15-11-10-14-8-4-5-9-16(14)17-15/h1-9,15,17H,10-12H2
InChIKey
QEYCTWCXRNTSEP-UHFFFAOYSA-N
Compound name
2-benzyl-1,2,3,4-tetrahydroquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

223.1361 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.14338 150.7
[M+Na]+ 246.12532 156.4
[M-H]- 222.12882 154.6
[M+NH4]+ 241.16992 167.4
[M+K]+ 262.09926 150.4
[M+H-H2O]+ 206.13336 142.4
[M+HCOO]- 268.13430 168.6
[M+CH3COO]- 282.14995 161.6
[M+Na-2H]- 244.11077 157.8
[M]+ 223.13555 145.3
[M]- 223.13665 145.3
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