CID 504073

2-butyl-4-methyl-quinoline

Structural Information

Molecular Formula
C14H17N
SMILES
CCCCC1=NC2=CC=CC=C2C(=C1)C
InChI
InChI=1S/C14H17N/c1-3-4-7-12-10-11(2)13-8-5-6-9-14(13)15-12/h5-6,8-10H,3-4,7H2,1-2H3
InChIKey
USIXUWHLQIYKPS-UHFFFAOYSA-N
Compound name
2-butyl-4-methylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

199.1361 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.143376 145.1
[M+Na]+ 222.125318 153.8
[M-H]- 198.128824 148.3
[M+NH4]+ 217.169923 164.7
[M+K]+ 238.099258 149.7
[M+H-H2O]+ 182.133360 138.1
[M+HCOO]- 244.134301 166.7
[M+CH3COO]- 258.149951 188.8
[M+Na-2H]- 220.110766 152.6
[M]+ 199.13555142 146.8
[M]- 199.13664858 146.8
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