CID 460077

2-cyclobutyl-4-methylquinoline

Structural Information

Molecular Formula
C14H15N
SMILES
CC1=CC(=NC2=CC=CC=C12)C3CCC3
InChI
InChI=1S/C14H15N/c1-10-9-14(11-5-4-6-11)15-13-8-3-2-7-12(10)13/h2-3,7-9,11H,4-6H2,1H3
InChIKey
YQOTUHCYDDOIKE-UHFFFAOYSA-N
Compound name
2-cyclobutyl-4-methylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

197.12045 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.12773 139.2
[M+Na]+ 220.10967 146.7
[M-H]- 196.11317 145.2
[M+NH4]+ 215.15427 152.2
[M+K]+ 236.08361 145.8
[M+H-H2O]+ 180.11771 126.9
[M+HCOO]- 242.11865 159.2
[M+CH3COO]- 256.13430 151.9
[M+Na-2H]- 218.09512 146.5
[M]+ 197.11990 146.7
[M]- 197.12100 146.7
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