CID 18071371

Tert-butyl n-(8-methyl-1,2,3,4-tetrahydroquinolin-5-yl)carbamate

Structural Information

Molecular Formula
C15H22N2O2
SMILES
CC1=C2C(=C(C=C1)NC(=O)OC(C)(C)C)CCCN2
InChI
InChI=1S/C15H22N2O2/c1-10-7-8-12(11-6-5-9-16-13(10)11)17-14(18)19-15(2,3)4/h7-8,16H,5-6,9H2,1-4H3,(H,17,18)
InChIKey
ZFVPOHVXQAUDCR-UHFFFAOYSA-N
Compound name
tert-butyl N-(8-methyl-1,2,3,4-tetrahydroquinolin-5-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.16812 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.175396 163.4
[M+Na]+ 285.157338 168.7
[M-H]- 261.160844 164.6
[M+NH4]+ 280.201943 179.2
[M+K]+ 301.131278 165.5
[M+H-H2O]+ 245.165380 156.7
[M+HCOO]- 307.166321 179.2
[M+CH3COO]- 321.181971 197.4
[M+Na-2H]- 283.142786 167.9
[M]+ 262.16757142 160.9
[M]- 262.16866858 160.9
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.