CID 75266

2255-02-9

Structural Information

Molecular Formula
C13H21N2O
SMILES
CCCCCCC[N+]1=CC=CC(=C1)C(=O)N
InChI
InChI=1S/C13H20N2O/c1-2-3-4-5-6-9-15-10-7-8-12(11-15)13(14)16/h7-8,10-11H,2-6,9H2,1H3,(H-,14,16)/p+1
InChIKey
ULXFMRIGNUDIOT-UHFFFAOYSA-O
Compound name
1-heptylpyridin-1-ium-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.16539 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.17267 151.2
[M+Na]+ 244.15461 164.3
[M+NH4]+ 239.19921 159.5
[M+K]+ 260.12855 158.1
[M-H]- 220.15811 154.6
[M+Na-2H]- 242.14006 157.7
[M]+ 221.16484 154.2
[M]- 221.16594 154.2
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

No patent data available for this compound.