CID 70984316

1394162-48-1

Structural Information

Molecular Formula

C₁₀H₁₈N₄O₂

SMILES

CC(C)(C)OC(=O)NCCN1C=C(C=N1)N

InChI

InChI=1S/C10H18N4O2/c1-10(2,3)16-9(15)12-4-5-14-7-8(11)6-13-14/h6-7H,4-5,11H2,1-3H3,(H,12,15)

InChIKey

AZNYWSBHIXKFKY-UHFFFAOYSA-N

Compound name

tert-butyl N-[2-(4-aminopyrazol-1-yl)ethyl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 51
Patents: 226.14297 Da
Monoisotopic Mass: 0.2
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]+	227.150246	153.2
[M+Na]+	249.132188	159.7
[M-H]-	225.135694	154.0
[M+NH4]+	244.176793	170.0
[M+K]+	265.106128	158.6
[M+H-H2O]+	209.140230	145.7
[M+HCOO]-	271.141171	175.1
[M+CH3COO]-	285.156821	192.5
[M+Na-2H]-	247.117636	157.2
[M]+	226.14242142	153.8
[M]-	226.14351858	153.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe