CID 3051407

Quinoline, 1,2-dihydro-1-tert-valeryl-

Structural Information

Molecular Formula
C14H19N
SMILES
CCC(C)(C)N1CC=CC2=CC=CC=C21
InChI
InChI=1S/C14H19N/c1-4-14(2,3)15-11-7-9-12-8-5-6-10-13(12)15/h5-10H,4,11H2,1-3H3
InChIKey
BCXUVFCAPBSIKA-UHFFFAOYSA-N
Compound name
1-(2-methylbutan-2-yl)-2H-quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.15175 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.159026 147.5
[M+Na]+ 224.140968 154.7
[M-H]- 200.144474 150.3
[M+NH4]+ 219.185573 166.7
[M+K]+ 240.114908 151.2
[M+H-H2O]+ 184.149010 140.9
[M+HCOO]- 246.149951 166.0
[M+CH3COO]- 260.165601 188.3
[M+Na-2H]- 222.126416 155.3
[M]+ 201.15120142 147.0
[M]- 201.15229858 147.0
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.