CID 3018591

8-tert-butylquinoline

Structural Information

Molecular Formula
C13H15N
SMILES
CC(C)(C)C1=CC=CC2=C1N=CC=C2
InChI
InChI=1S/C13H15N/c1-13(2,3)11-8-4-6-10-7-5-9-14-12(10)11/h4-9H,1-3H3
InChIKey
OQKVXNPHJMUXOZ-UHFFFAOYSA-N
Compound name
8-tert-butylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

535
Patents

185.12045 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.12773 141.6
[M+Na]+ 208.10967 150.3
[M-H]- 184.11317 145.0
[M+NH4]+ 203.15427 161.6
[M+K]+ 224.08361 146.9
[M+H-H2O]+ 168.11771 135.2
[M+HCOO]- 230.11865 161.9
[M+CH3COO]- 244.13430 184.3
[M+Na-2H]- 206.09512 150.9
[M]+ 185.11990 142.0
[M]- 185.12100 142.0
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