CID 69704

5-butyl-2-methylpyridine

Structural Information

Molecular Formula
C10H15N
SMILES
CCCCC1=CN=C(C=C1)C
InChI
InChI=1S/C10H15N/c1-3-4-5-10-7-6-9(2)11-8-10/h6-8H,3-5H2,1-2H3
InChIKey
GSYSNSTWMPZEQK-UHFFFAOYSA-N
Compound name
5-butyl-2-methylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4869
References

29680
Patents

149.12045 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.12773 132.1
[M+Na]+ 172.10967 140.2
[M-H]- 148.11317 134.4
[M+NH4]+ 167.15427 152.6
[M+K]+ 188.08361 138.1
[M+H-H2O]+ 132.11771 125.8
[M+HCOO]- 194.11865 155.2
[M+CH3COO]- 208.13430 178.2
[M+Na-2H]- 170.09512 139.4
[M]+ 149.11990 133.4
[M]- 149.12100 133.4
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