CID 11378649

Boc-guanidine

Structural Information

Molecular Formula

C₆H₁₃N₃O₂

SMILES

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

InChI

InChI=1S/C6H13N3O2/c1-6(2,3)11-5(10)9-4(7)8/h1-3H3,(H4,7,8,9,10)

InChIKey

UMOZLQVSOVNSCA-UHFFFAOYSA-N

Compound name

tert-butyl N-(diaminomethylidene)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 673
Patents: 159.10077 Da
Monoisotopic Mass: 0.6
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]+	160.10805	135.4
[M+Na]+	182.08999	141.2
[M+NH4]+	177.13459	141.1
[M+K]+	198.06393	139.4
[M-H]-	158.09349	134.2
[M+Na-2H]-	180.07544	137.1
[M]+	159.10022	135.2
[M]-	159.10132	135.2

Literature stripe

literature stripe

Patent stripe

patents stripe