CID 11629781

120277-50-1

Structural Information

Molecular Formula

C₉H₁₄N₂O₃

SMILES

CC(C)(C)OC(=O)N1C=C(N=C1)CO

InChI

InChI=1S/C9H14N2O3/c1-9(2,3)14-8(13)11-4-7(5-12)10-6-11/h4,6,12H,5H2,1-3H3

InChIKey

BQPGKWMFPIWAGE-UHFFFAOYSA-N

Compound name

tert-butyl 4-(hydroxymethyl)imidazole-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 44
Patents: 198.10045 Da
Monoisotopic Mass: 0.4
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]+	199.10773	143.9
[M+Na]+	221.08967	153.2
[M+NH4]+	216.13427	149.5
[M+K]+	237.06361	152.0
[M-H]-	197.09317	141.5
[M+Na-2H]-	219.07512	147.1
[M]+	198.09990	144.2
[M]-	198.10100	144.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe