CID 109640

6-isobutylquinoline

Structural Information

Molecular Formula
C13H15N
SMILES
CC(C)CC1=CC2=C(C=C1)N=CC=C2
InChI
InChI=1S/C13H15N/c1-10(2)8-11-5-6-13-12(9-11)4-3-7-14-13/h3-7,9-10H,8H2,1-2H3
InChIKey
YKGUUBIPVHRERN-UHFFFAOYSA-N
Compound name
6-(2-methylpropyl)quinoline
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

1480
Patents

185.12045 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.12773 140.9
[M+Na]+ 208.10967 148.7
[M-H]- 184.11317 143.9
[M+NH4]+ 203.15427 160.6
[M+K]+ 224.08361 145.4
[M+H-H2O]+ 168.11771 133.9
[M+HCOO]- 230.11865 161.7
[M+CH3COO]- 244.13430 185.5
[M+Na-2H]- 206.09512 148.4
[M]+ 185.11990 141.2
[M]- 185.12100 141.2
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