CID 50986462

Tert-butyl n-[1-(n-hydroxycarbamimidoyl)cyclobutyl]carbamate

Structural Information

Molecular Formula

C₁₀H₁₉N₃O₃

SMILES

CC(C)(C)OC(=O)NC1(CCC1)/C(=N/O)/N

InChI

InChI=1S/C10H19N3O3/c1-9(2,3)16-8(14)12-10(5-4-6-10)7(11)13-15/h15H,4-6H2,1-3H3,(H2,11,13)(H,12,14)

InChIKey

NJCTYVNAPFQCMS-UHFFFAOYSA-N

Compound name

tert-butyl N-[1-[(Z)-N'-hydroxycarbamimidoyl]cyclobutyl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 229.14264 Da
Monoisotopic Mass: 1.4
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]+	230.149916	159.7
[M+Na]+	252.131858	161.3
[M-H]-	228.135364	162.0
[M+NH4]+	247.176463	171.4
[M+K]+	268.105798	165.1
[M+H-H2O]+	212.139900	148.3
[M+HCOO]-	274.140841	179.6
[M+CH3COO]-	288.156491	197.8
[M+Na-2H]-	250.117306	162.6
[M]+	229.14209142	165.4
[M]-	229.14318858	165.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.