CID 86684610

1434054-30-4

Structural Information

Molecular Formula

C₁₀H₁₇N₃O₂

SMILES

CC1=NC(=CN1C)NC(=O)OC(C)(C)C

InChI

InChI=1S/C10H17N3O2/c1-7-11-8(6-13(7)5)12-9(14)15-10(2,3)4/h6H,1-5H3,(H,12,14)

InChIKey

WAKMYFWZEZJYGK-UHFFFAOYSA-N

Compound name

tert-butyl N-(1,2-dimethylimidazol-4-yl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 51
Patents: 211.13208 Da
Monoisotopic Mass: 1.3
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]+	212.13936	148.6
[M+Na]+	234.12130	157.7
[M+NH4]+	229.16590	154.4
[M+K]+	250.09524	156.1
[M-H]-	210.12480	147.5
[M+Na-2H]-	232.10675	152.0
[M]+	211.13153	149.2
[M]-	211.13263	149.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe