CID 29947148

Tert-butyl n-(1,2,3,4-tetrahydroisoquinolin-5-yl)carbamate

Structural Information

Molecular Formula
C14H20N2O2
SMILES
CC(C)(C)OC(=O)NC1=CC=CC2=C1CCNC2
InChI
InChI=1S/C14H20N2O2/c1-14(2,3)18-13(17)16-12-6-4-5-10-9-15-8-7-11(10)12/h4-6,15H,7-9H2,1-3H3,(H,16,17)
InChIKey
JXHAKLFEWQOFND-UHFFFAOYSA-N
Compound name
tert-butyl N-(1,2,3,4-tetrahydroisoquinolin-5-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

248.15248 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.15976 158.7
[M+Na]+ 271.14170 163.5
[M-H]- 247.14520 159.7
[M+NH4]+ 266.18630 174.7
[M+K]+ 287.11564 160.5
[M+H-H2O]+ 231.14974 151.9
[M+HCOO]- 293.15068 174.9
[M+CH3COO]- 307.16633 193.1
[M+Na-2H]- 269.12715 164.4
[M]+ 248.15193 155.5
[M]- 248.15303 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