CID 17672

Miripirium

Structural Information

Molecular Formula
C20H36N
SMILES
CCCCCCCCCCCCCC[N+]1=CC=C(C=C1)C
InChI
InChI=1S/C20H36N/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-21-18-15-20(2)16-19-21/h15-16,18-19H,3-14,17H2,1-2H3/q+1
InChIKey
JDKRQGOIZPRQRU-UHFFFAOYSA-N
Compound name
4-methyl-1-tetradecylpyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

10
References

2080
Patents

290.2848 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.29208 180.5
[M+Na]+ 313.27402 184.1
[M-H]- 289.27752 181.1
[M+NH4]+ 308.31862 194.8
[M+K]+ 329.24796 174.0
[M+H-H2O]+ 273.28206 174.7
[M+HCOO]- 335.28300 199.7
[M+CH3COO]- 349.29865 202.0
[M+Na-2H]- 311.25947 184.1
[M]+ 290.28425 184.1
[M]- 290.28535 184.1
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