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 147.1
[M+Na]+ 232.11822 153.7
[M-H]- 208.12172 151.2
[M+NH4]+ 227.16282 164.9
[M+K]+ 248.09216 148.5
[M+H-H2O]+ 192.12626 142.7
[M+HCOO]- 254.12720 169.7
[M+CH3COO]- 268.14285 186.0
[M+Na-2H]- 230.10367 153.1
[M]+ 209.12845 148.6
[M]- 209.12955 148.6
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.

Patent stripe

No patent data available for this compound.