CID 124703938

2060042-17-1

Structural Information

Molecular Formula

C₁₀H₁₉N₃O₂

SMILES

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

InChI

InChI=1S/C10H19N3O2/c1-9(2,3)15-8(14)13-10(7(11)12)5-4-6-10/h4-6H2,1-3H3,(H3,11,12)(H,13,14)

InChIKey

HYTUHZVOPTUWLA-UHFFFAOYSA-N

Compound name

tert-butyl N-(1-carbamimidoylcyclobutyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 213.14772 Da
Monoisotopic Mass: 0.7
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]+	214.154996	157.5
[M+Na]+	236.136938	159.3
[M-H]-	212.140444	159.9
[M+NH4]+	231.181543	169.9
[M+K]+	252.110878	162.5
[M+H-H2O]+	196.144980	146.4
[M+HCOO]-	258.145921	177.3
[M+CH3COO]-	272.161571	196.3
[M+Na-2H]-	234.122386	160.2
[M]+	213.14717142	161.9
[M]-	213.14826858	161.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.