CID 48676

66967-92-8

Structural Information

Molecular Formula
C12H20N3O2
SMILES
CN(C)C(=O)OC1=C(N=CC=C1)C[N+](C)(C)C
InChI
InChI=1S/C12H20N3O2/c1-14(2)12(16)17-11-7-6-8-13-10(11)9-15(3,4)5/h6-8H,9H2,1-5H3/q+1
InChIKey
BLLQSBYWYQDTKI-UHFFFAOYSA-N
Compound name
[3-(dimethylcarbamoyloxy)pyridin-2-yl]methyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.15555 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.16283 152.1
[M+Na]+ 261.14477 158.5
[M-H]- 237.14827 157.6
[M+NH4]+ 256.18937 169.5
[M+K]+ 277.11871 153.5
[M+H-H2O]+ 221.15281 147.5
[M+HCOO]- 283.15375 176.2
[M+CH3COO]- 297.16940 195.9
[M+Na-2H]- 259.13022 160.8
[M]+ 238.15500 154.8
[M]- 238.15610 154.8
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.