CID 74005

(isobutyl)quinoline

Structural Information

Molecular Formula
C13H15N
SMILES
CC(C)CC1=CC=NC2=CC=CC=C12
InChI
InChI=1S/C13H15N/c1-10(2)9-11-7-8-14-13-6-4-3-5-12(11)13/h3-8,10H,9H2,1-2H3
InChIKey
ZFIHCQGXRHANID-UHFFFAOYSA-N
Compound name
4-(2-methylpropyl)quinoline
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

58
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