CID 53415221

Tert-butyl n-[(1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]carbamate

Structural Information

Molecular Formula
C15H22N2O2
SMILES
CC(C)(C)OC(=O)NCC1C2=CC=CC=C2CCN1
InChI
InChI=1S/C15H22N2O2/c1-15(2,3)19-14(18)17-10-13-12-7-5-4-6-11(12)8-9-16-13/h4-7,13,16H,8-10H2,1-3H3,(H,17,18)
InChIKey
QVYKNCRSCRVYBA-UHFFFAOYSA-N
Compound name
tert-butyl N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.16812 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.17540 162.6
[M+Na]+ 285.15734 172.3
[M+NH4]+ 280.20194 169.6
[M+K]+ 301.13128 166.8
[M-H]- 261.16084 163.4
[M+Na-2H]- 283.14279 166.5
[M]+ 262.16757 164.0
[M]- 262.16867 164.0
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

No patent data available for this compound.