CID 3018592

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

Structural Information

Molecular Formula
C13H19N
SMILES
CC(C)(C)C1=CC2=C(C=C1)NCCC2
InChI
InChI=1S/C13H19N/c1-13(2,3)11-6-7-12-10(9-11)5-4-8-14-12/h6-7,9,14H,4-5,8H2,1-3H3
InChIKey
CVUAEQKDQXZBLD-UHFFFAOYSA-N
Compound name
6-tert-butyl-1,2,3,4-tetrahydroquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

111
Patents

189.15175 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.15903 145.1
[M+Na]+ 212.14097 151.3
[M-H]- 188.14447 146.3
[M+NH4]+ 207.18557 164.1
[M+K]+ 228.11491 147.5
[M+H-H2O]+ 172.14901 139.1
[M+HCOO]- 234.14995 161.0
[M+CH3COO]- 248.16560 182.3
[M+Na-2H]- 210.12642 151.9
[M]+ 189.15120 140.8
[M]- 189.15230 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

No literature data available for this compound.

Patent stripe

patents stripe