CID 4078484

Tert-butyl 1,2,3,4-tetrahydroquinolin-4-ylcarbamate

Structural Information

Molecular Formula
C14H20N2O2
SMILES
CC(C)(C)OC(=O)NC1CCNC2=CC=CC=C12
InChI
InChI=1S/C14H20N2O2/c1-14(2,3)18-13(17)16-12-8-9-15-11-7-5-4-6-10(11)12/h4-7,12,15H,8-9H2,1-3H3,(H,16,17)
InChIKey
JNDJUQHDAWUNKN-UHFFFAOYSA-N
Compound name
tert-butyl N-(1,2,3,4-tetrahydroquinolin-4-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

248.15248 Da
Monoisotopic Mass

2.6
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

No literature data available for this compound.

Patent stripe

patents stripe