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 158.7
[M+Na]+ 274.16517 171.6
[M+NH4]+ 269.20977 166.6
[M+K]+ 290.13911 166.0
[M-H]- 250.16867 162.0
[M+Na-2H]- 272.15062 165.1
[M]+ 251.17540 161.6
[M]- 251.17650 161.6
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.

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No patent data available for this compound.