CID 545436

66787-73-3

Structural Information

Molecular Formula

C₉H₁₅N₃O₂

SMILES

CC(C)(C)OC(=O)NC1=CN=CN1C

InChI

InChI=1S/C9H15N3O2/c1-9(2,3)14-8(13)11-7-5-10-6-12(7)4/h5-6H,1-4H3,(H,11,13)

InChIKey

PEKVFQUSUDBNKI-UHFFFAOYSA-N

Compound name

tert-butyl N-(3-methylimidazol-4-yl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 197.11642 Da
Monoisotopic Mass: 0.9
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]+	198.12370	144.2
[M+Na]+	220.10564	153.2
[M+NH4]+	215.15024	150.1
[M+K]+	236.07958	151.6
[M-H]-	196.10914	143.1
[M+Na-2H]-	218.09109	148.1
[M]+	197.11587	144.8
[M]-	197.11697	144.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe