CID 11378649

1-(tert-butoxycarbonyl)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: 778
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]+	160.108046	135.1
[M+Na]+	182.089988	141.0
[M-H]-	158.093494	136.2
[M+NH4]+	177.134593	155.4
[M+K]+	198.063928	142.0
[M+H-H2O]+	142.098030	129.7
[M+HCOO]-	204.098971	159.5
[M+CH3COO]-	218.114621	184.7
[M+Na-2H]-	180.075436	139.3
[M]+	159.10022142	133.0
[M]-	159.10131858	133.0

Literature stripe

literature stripe

Patent stripe

patents stripe