CID 3052952

3-dimethylcarbamoyloxy-1-isopropylpyridinium bromide

Structural Information

Molecular Formula
C11H17N2O2
SMILES
CC(C)[N+]1=CC=CC(=C1)OC(=O)N(C)C
InChI
InChI=1S/C11H17N2O2/c1-9(2)13-7-5-6-10(8-13)15-11(14)12(3)4/h5-9H,1-4H3/q+1
InChIKey
WYTSRYBFWCJJAI-UHFFFAOYSA-N
Compound name
(1-propan-2-ylpyridin-1-ium-3-yl) N,N-dimethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.129 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.13628 144.9
[M+Na]+ 232.11822 158.2
[M+NH4]+ 227.16282 153.3
[M+K]+ 248.09216 154.1
[M-H]- 208.12172 148.2
[M+Na-2H]- 230.10367 151.9
[M]+ 209.12845 147.9
[M]- 209.12955 147.9
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.