CID 155820521

2460750-64-3

Structural Information

Molecular Formula
C17H26N2O2
SMILES
CC(C)(C)OC(=O)NCCCC1=CC2=C(CCCN2)C=C1
InChI
InChI=1S/C17H26N2O2/c1-17(2,3)21-16(20)19-11-4-6-13-8-9-14-7-5-10-18-15(14)12-13/h8-9,12,18H,4-7,10-11H2,1-3H3,(H,19,20)
InChIKey
XQEGXVZQPCHNAT-UHFFFAOYSA-N
Compound name
tert-butyl N-[3-(1,2,3,4-tetrahydroquinolin-7-yl)propyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.19943 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.206706 172.3
[M+Na]+ 313.188648 175.8
[M-H]- 289.192154 172.7
[M+NH4]+ 308.233253 186.6
[M+K]+ 329.162588 172.1
[M+H-H2O]+ 273.196690 164.9
[M+HCOO]- 335.197631 187.4
[M+CH3COO]- 349.213281 202.2
[M+Na-2H]- 311.174096 176.5
[M]+ 290.19888142 170.1
[M]- 290.19997858 170.1
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.