CID 5953670

1-(n-boc-carb

Structural Information

Molecular Formula

C₉H₁₄N₄O₂

SMILES

CC(C)(C)OC(=O)/N=C(/N)\N1C=CC=N1

InChI

InChI=1S/C9H14N4O2/c1-9(2,3)15-8(14)12-7(10)13-6-4-5-11-13/h4-6H,1-3H3,(H2,10,12,14)

InChIKey

IGSFMHYSWZUENI-UHFFFAOYSA-N

Compound name

tert-butyl (NZ)-N-[amino(pyrazol-1-yl)methylidene]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 111
Patents: 210.11168 Da
Monoisotopic Mass: 1.5
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]+	211.11896	146.8
[M+Na]+	233.10090	154.0
[M+NH4]+	228.14550	152.0
[M+K]+	249.07484	153.4
[M-H]-	209.10440	145.7
[M+Na-2H]-	231.08635	150.4
[M]+	210.11113	147.0
[M]-	210.11223	147.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe