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

29684
Patents

149.12045 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.127726 132.1
[M+Na]+ 172.109668 140.2
[M-H]- 148.113174 134.4
[M+NH4]+ 167.154273 152.6
[M+K]+ 188.083608 138.1
[M+H-H2O]+ 132.117710 125.8
[M+HCOO]- 194.118651 155.2
[M+CH3COO]- 208.134301 178.2
[M+Na-2H]- 170.095116 139.4
[M]+ 149.11990142 133.4
[M]- 149.12099858 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