CID 573085

Tert-butyl n-[2-(2-amino-1h-imidazol-5-yl)ethyl]carbamate

Structural Information

Molecular Formula

C₁₀H₁₈N₄O₂

SMILES

CC(C)(C)OC(=O)NCCC1=CN=C(N1)N

InChI

InChI=1S/C10H18N4O2/c1-10(2,3)16-9(15)12-5-4-7-6-13-8(11)14-7/h6H,4-5H2,1-3H3,(H,12,15)(H3,11,13,14)

InChIKey

BWWJSWSVMLACIZ-UHFFFAOYSA-N

Compound name

tert-butyl N-[2-(2-amino-1H-imidazol-5-yl)ethyl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 226.14297 Da
Monoisotopic Mass: 0.7
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]+	227.150246	153.6
[M+Na]+	249.132188	159.7
[M-H]-	225.135694	153.0
[M+NH4]+	244.176793	169.6
[M+K]+	265.106128	157.7
[M+H-H2O]+	209.140230	146.3
[M+HCOO]-	271.141171	174.0
[M+CH3COO]-	285.156821	190.1
[M+Na-2H]-	247.117636	157.2
[M]+	226.14242142	152.3
[M]-	226.14351858	152.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.