CID 101286

4-(3-pentyl)pyridine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

217
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 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

No literature data available for this compound.

Patent stripe

patents stripe