CID 81887

2-(3-pentyl)pyridine

Structural Information

Molecular Formula
C10H15N
SMILES
CCC(CC)C1=CC=CC=N1
InChI
InChI=1S/C10H15N/c1-3-9(4-2)10-7-5-6-8-11-10/h5-9H,3-4H2,1-2H3
InChIKey
FTYAXYWEDPWJCJ-UHFFFAOYSA-N
Compound name
2-pentan-3-ylpyridine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

2709
Patents

149.12045 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.12773 133.0
[M+Na]+ 172.10967 139.8
[M-H]- 148.11317 135.0
[M+NH4]+ 167.15427 153.0
[M+K]+ 188.08361 138.1
[M+H-H2O]+ 132.11771 126.5
[M+HCOO]- 194.11865 155.0
[M+CH3COO]- 208.13430 178.0
[M+Na-2H]- 170.09512 139.7
[M]+ 149.11990 133.2
[M]- 149.12100 133.2
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