CID 16800

2-pentylpyridine

Structural Information

Molecular Formula
C10H15N
SMILES
CCCCCC1=CC=CC=N1
InChI
InChI=1S/C10H15N/c1-2-3-4-7-10-8-5-6-9-11-10/h5-6,8-9H,2-4,7H2,1H3
InChIKey
HSDXVAOHEOSTFZ-UHFFFAOYSA-N
Compound name
2-pentylpyridine
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

7
References

3317
Patents

149.12045 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.127726 132.7
[M+Na]+ 172.109668 139.7
[M-H]- 148.113174 134.5
[M+NH4]+ 167.154273 152.7
[M+K]+ 188.083608 137.6
[M+H-H2O]+ 132.117710 126.0
[M+HCOO]- 194.118651 155.6
[M+CH3COO]- 208.134301 177.2
[M+Na-2H]- 170.095116 140.6
[M]+ 149.11990142 133.5
[M]- 149.12099858 133.5
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