CID 200691

2520-49-2

Structural Information

Molecular Formula
C16H27N2O
SMILES
CCCCCCCCCC[N+]1=CC=CC(=C1)C(=O)N
InChI
InChI=1S/C16H26N2O/c1-2-3-4-5-6-7-8-9-12-18-13-10-11-15(14-18)16(17)19/h10-11,13-14H,2-9,12H2,1H3,(H-,17,19)/p+1
InChIKey
IXVXQYIYGYKLNL-UHFFFAOYSA-O
Compound name
1-decylpyridin-1-ium-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

263.21234 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.21962 168.1
[M+Na]+ 286.20156 172.5
[M-H]- 262.20506 169.0
[M+NH4]+ 281.24616 182.7
[M+K]+ 302.17550 163.2
[M+H-H2O]+ 246.20960 162.8
[M+HCOO]- 308.21054 188.6
[M+CH3COO]- 322.22619 195.5
[M+Na-2H]- 284.18701 172.2
[M]+ 263.21179 168.5
[M]- 263.21289 168.5
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