CID 3052948

3-dimethylcarbamoyloxy-1-hexylpyridinium bromide

Structural Information

Molecular Formula
C14H23N2O2
SMILES
CCCCCC[N+]1=CC=CC(=C1)OC(=O)N(C)C
InChI
InChI=1S/C14H23N2O2/c1-4-5-6-7-10-16-11-8-9-13(12-16)18-14(17)15(2)3/h8-9,11-12H,4-7,10H2,1-3H3/q+1
InChIKey
RSTOHENFCXIMID-UHFFFAOYSA-N
Compound name
(1-hexylpyridin-1-ium-3-yl) N,N-dimethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.17595 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.183226 161.9
[M+Na]+ 274.165168 167.4
[M-H]- 250.168674 165.3
[M+NH4]+ 269.209773 178.0
[M+K]+ 290.139108 161.0
[M+H-H2O]+ 234.173210 156.6
[M+HCOO]- 296.174151 184.4
[M+CH3COO]- 310.189801 194.2
[M+Na-2H]- 272.150616 167.4
[M]+ 251.17540142 165.0
[M]- 251.17649858 165.0
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.