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]+ 252.18323 161.9
[M+Na]+ 274.16517 167.4
[M-H]- 250.16867 165.3
[M+NH4]+ 269.20977 178.0
[M+K]+ 290.13911 161.0
[M+H-H2O]+ 234.17321 156.6
[M+HCOO]- 296.17415 184.4
[M+CH3COO]- 310.18980 194.2
[M+Na-2H]- 272.15062 167.4
[M]+ 251.17540 165.0
[M]- 251.17650 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.