CID 64405992

Tert-butyl n-[carbamimidoyl(cyclohexyl)methyl]carbamate

Structural Information

Molecular Formula

C₁₃H₂₅N₃O₂

SMILES

CC(C)(C)OC(=O)NC(C1CCCCC1)C(=N)N

InChI

InChI=1S/C13H25N3O2/c1-13(2,3)18-12(17)16-10(11(14)15)9-7-5-4-6-8-9/h9-10H,4-8H2,1-3H3,(H3,14,15)(H,16,17)

InChIKey

DDQJHTSVSYQYRH-UHFFFAOYSA-N

Compound name

tert-butyl N-(2-amino-1-cyclohexyl-2-iminoethyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 255.19467 Da
Monoisotopic Mass: 2.4
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]+	256.201946	162.5
[M+Na]+	278.183888	162.9
[M-H]-	254.187394	164.0
[M+NH4]+	273.228493	177.8
[M+K]+	294.157828	162.4
[M+H-H2O]+	238.191930	155.9
[M+HCOO]-	300.192871	180.1
[M+CH3COO]-	314.208521	202.4
[M+Na-2H]-	276.169336	162.7
[M]+	255.19412142	155.1
[M]-	255.19521858	155.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.