CID 4990

Pyricarbate

Structural Information

Molecular Formula
C11H15N3O4
SMILES
CNC(=O)OCC1=NC(=CC=C1)COC(=O)NC
InChI
InChI=1S/C11H15N3O4/c1-12-10(15)17-6-8-4-3-5-9(14-8)7-18-11(16)13-2/h3-5H,6-7H2,1-2H3,(H,12,15)(H,13,16)
InChIKey
YEKQSSHBERGOJK-UHFFFAOYSA-N
Compound name
[6-(methylcarbamoyloxymethyl)pyridin-2-yl]methyl N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

265
References

1510
Patents

253.10626 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.11354 155.9
[M+Na]+ 276.09548 161.6
[M-H]- 252.09898 158.1
[M+NH4]+ 271.14008 170.9
[M+K]+ 292.06942 161.0
[M+H-H2O]+ 236.10352 147.8
[M+HCOO]- 298.10446 179.9
[M+CH3COO]- 312.12011 196.8
[M+Na-2H]- 274.08093 160.7
[M]+ 253.10571 158.6
[M]- 253.10681 158.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe