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]+ 263.17540 163.4
[M+Na]+ 285.15734 168.7
[M-H]- 261.16084 164.6
[M+NH4]+ 280.20194 179.2
[M+K]+ 301.13128 165.5
[M+H-H2O]+ 245.16538 156.7
[M+HCOO]- 307.16632 179.2
[M+CH3COO]- 321.18197 197.4
[M+Na-2H]- 283.14279 167.9
[M]+ 262.16757 160.9
[M]- 262.16867 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.