CID 3018593

8-(tert-butyl)-1,2,3,4-tetrahydroquinoline

Structural Information

Molecular Formula
C13H19N
SMILES
CC(C)(C)C1=CC=CC2=C1NCCC2
InChI
InChI=1S/C13H19N/c1-13(2,3)11-8-4-6-10-7-5-9-14-12(10)11/h4,6,8,14H,5,7,9H2,1-3H3
InChIKey
FTAFKJQTGWHYTC-UHFFFAOYSA-N
Compound name
8-tert-butyl-1,2,3,4-tetrahydroquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

189.15175 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.159026 145.1
[M+Na]+ 212.140968 151.3
[M-H]- 188.144474 146.3
[M+NH4]+ 207.185573 164.1
[M+K]+ 228.114908 147.5
[M+H-H2O]+ 172.149010 139.1
[M+HCOO]- 234.149951 161.0
[M+CH3COO]- 248.165601 182.3
[M+Na-2H]- 210.126416 151.9
[M]+ 189.15120142 140.8
[M]- 189.15229858 140.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe