CID 50986494

Tert-butyl n-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)carbamate

Structural Information

Molecular Formula
C15H22N2O2
SMILES
CC(C)(C)OC(=O)NCC1=CC2=C(C=C1)NCCC2
InChI
InChI=1S/C15H22N2O2/c1-15(2,3)19-14(18)17-10-11-6-7-13-12(9-11)5-4-8-16-13/h6-7,9,16H,4-5,8,10H2,1-3H3,(H,17,18)
InChIKey
JRYYOMGORGXDCZ-UHFFFAOYSA-N
Compound name
tert-butyl N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

262.16812 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.17540 163.3
[M+Na]+ 285.15734 167.6
[M-H]- 261.16084 164.1
[M+NH4]+ 280.20194 178.7
[M+K]+ 301.13128 164.4
[M+H-H2O]+ 245.16538 156.3
[M+HCOO]- 307.16632 179.1
[M+CH3COO]- 321.18197 196.1
[M+Na-2H]- 283.14279 168.5
[M]+ 262.16757 160.4
[M]- 262.16867 160.4
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