CID 12003568

917919-48-3

Structural Information

Molecular Formula

C₁₁H₁₉N₃O₄

SMILES

CC(C)(C)OC(=O)N1C=C(N=C1N)C(OC)OC

InChI

InChI=1S/C11H19N3O4/c1-11(2,3)18-10(15)14-6-7(13-9(14)12)8(16-4)17-5/h6,8H,1-5H3,(H2,12,13)

InChIKey

LVXCSTRNZZHOOV-UHFFFAOYSA-N

Compound name

tert-butyl 2-amino-4-(dimethoxymethyl)imidazole-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 257.13754 Da
Monoisotopic Mass: 1.2
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]+	258.14482	159.0
[M+Na]+	280.12676	166.4
[M-H]-	256.13026	160.1
[M+NH4]+	275.17136	174.9
[M+K]+	296.10070	166.7
[M+H-H2O]+	240.13480	152.0
[M+HCOO]-	302.13574	178.9
[M+CH3COO]-	316.15139	196.8
[M+Na-2H]-	278.11221	160.5
[M]+	257.13699	163.3
[M]-	257.13809	163.3

Literature stripe

literature stripe

Patent stripe

patents stripe