CID 4460996

Boc-3-amino-1,2,3,4-tetrahydroquinoline

Structural Information

Molecular Formula
C14H20N2O2
SMILES
CC(C)(C)OC(=O)NC1CC2=CC=CC=C2NC1
InChI
InChI=1S/C14H20N2O2/c1-14(2,3)18-13(17)16-11-8-10-6-4-5-7-12(10)15-9-11/h4-7,11,15H,8-9H2,1-3H3,(H,16,17)
InChIKey
GAURNOYXRZQBNV-UHFFFAOYSA-N
Compound name
tert-butyl N-(1,2,3,4-tetrahydroquinolin-3-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

66
Patents

248.15248 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.159756 158.7
[M+Na]+ 271.141698 163.5
[M-H]- 247.145204 159.7
[M+NH4]+ 266.186303 174.7
[M+K]+ 287.115638 160.5
[M+H-H2O]+ 231.149740 151.9
[M+HCOO]- 293.150681 174.9
[M+CH3COO]- 307.166331 193.1
[M+Na-2H]- 269.127146 164.4
[M]+ 248.15193142 155.5
[M]- 248.15302858 155.5
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