CID 15867047

293733-40-1

Structural Information

Molecular Formula

C₁₀H₁₄N₂O₃

SMILES

CC(C)(C)OC(=O)C1=CN=C(N1C)C=O

InChI

InChI=1S/C10H14N2O3/c1-10(2,3)15-9(14)7-5-11-8(6-13)12(7)4/h5-6H,1-4H3

InChIKey

VFAJCZHBOJFVTO-UHFFFAOYSA-N

Compound name

tert-butyl 2-formyl-3-methylimidazole-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 210.10045 Da
Monoisotopic Mass: 1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	211.10773	146.8
[M+Na]+	233.08967	156.8
[M+NH4]+	228.13427	152.2
[M+K]+	249.06361	155.2
[M-H]-	209.09317	144.7
[M+Na-2H]-	231.07512	150.0
[M]+	210.09990	147.3
[M]-	210.10100	147.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe