CID 71758256

1432678-99-3

Structural Information

Molecular Formula
C14H21N3O2
SMILES
CC(C)(C)OC(=O)NC1CCC2=C(C1)C=C(C=N2)N
InChI
InChI=1S/C14H21N3O2/c1-14(2,3)19-13(18)17-11-4-5-12-9(7-11)6-10(15)8-16-12/h6,8,11H,4-5,7,15H2,1-3H3,(H,17,18)
InChIKey
PGDUXCCWWVPKSE-UHFFFAOYSA-N
Compound name
tert-butyl N-(3-amino-5,6,7,8-tetrahydroquinolin-6-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.1634 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.17068 162.3
[M+Na]+ 286.15262 167.6
[M-H]- 262.15612 164.5
[M+NH4]+ 281.19722 178.1
[M+K]+ 302.12656 165.2
[M+H-H2O]+ 246.16066 155.1
[M+HCOO]- 308.16160 180.3
[M+CH3COO]- 322.17725 201.4
[M+Na-2H]- 284.13807 167.2
[M]+ 263.16285 159.6
[M]- 263.16395 159.6
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.