CID 3020033

84682-10-0

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 144.6
[M+Na]+ 212.140968 149.9
[M-H]- 188.144474 145.4
[M+NH4]+ 207.185573 163.3
[M+K]+ 228.114908 146.1
[M+H-H2O]+ 172.149010 137.9
[M+HCOO]- 234.149951 161.0
[M+CH3COO]- 248.165601 183.5
[M+Na-2H]- 210.126416 149.5
[M]+ 189.15120142 140.2
[M]- 189.15229858 140.2
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.