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]+ 202.15903 147.5
[M+Na]+ 224.14097 154.7
[M-H]- 200.14447 150.3
[M+NH4]+ 219.18557 166.7
[M+K]+ 240.11491 151.2
[M+H-H2O]+ 184.14901 140.9
[M+HCOO]- 246.14995 166.0
[M+CH3COO]- 260.16560 188.3
[M+Na-2H]- 222.12642 155.3
[M]+ 201.15120 147.0
[M]- 201.15230 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.