CID 70738

4-propylpyridine

Structural Information

Molecular Formula
C8H11N
SMILES
CCCC1=CC=NC=C1
InChI
InChI=1S/C8H11N/c1-2-3-8-4-6-9-7-5-8/h4-7H,2-3H2,1H3
InChIKey
JAWZAONCXMJLFT-UHFFFAOYSA-N
Compound name
4-propylpyridine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

2999
Patents

121.08915 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 122.096426 123.3
[M+Na]+ 144.078368 131.2
[M-H]- 120.081874 125.5
[M+NH4]+ 139.122973 144.5
[M+K]+ 160.052308 129.7
[M+H-H2O]+ 104.086410 117.2
[M+HCOO]- 166.087351 147.0
[M+CH3COO]- 180.103001 171.1
[M+Na-2H]- 142.063816 132.4
[M]+ 121.08860142 123.4
[M]- 121.08969858 123.4
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