CID 3008193

Cyanomethyl 2-methyl-1-tetrahydropyran-2-yl-imidazole-4-carboxylate

Structural Information

Molecular Formula
C12H15N3O3
SMILES
CC1=NC(=CN1C2CCCCO2)C(=O)OCC#N
InChI
InChI=1S/C12H15N3O3/c1-9-14-10(12(16)18-7-5-13)8-15(9)11-4-2-3-6-17-11/h8,11H,2-4,6-7H2,1H3
InChIKey
UHARUHJAHICASV-UHFFFAOYSA-N
Compound name
cyanomethyl 2-methyl-1-(oxan-2-yl)imidazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

249.11134 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.11862 150.7
[M+Na]+ 272.10056 158.7
[M-H]- 248.10406 153.2
[M+NH4]+ 267.14516 163.4
[M+K]+ 288.07450 156.7
[M+H-H2O]+ 232.10860 135.3
[M+HCOO]- 294.10954 165.1
[M+CH3COO]- 308.12519 202.5
[M+Na-2H]- 270.08601 152.6
[M]+ 249.11079 145.4
[M]- 249.11189 145.4
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

No patent data available for this compound.