CID 5289428

Tert-butyl 2-cyano-2-methylhydrazinecarboxylate

Structural Information

Molecular Formula

C₇H₁₃N₃O₂

SMILES

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

InChI

InChI=1S/C7H13N3O2/c1-7(2,3)12-6(11)9-10(4)5-8/h1-4H3,(H,9,11)

InChIKey

SWELYBAPJHIOQT-UHFFFAOYSA-N

Compound name

tert-butyl N-[cyano(methyl)amino]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 171.10077 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]+	172.10805	140.0
[M+Na]+	194.08999	147.3
[M-H]-	170.09349	142.1
[M+NH4]+	189.13459	158.4
[M+K]+	210.06393	149.4
[M+H-H2O]+	154.09803	128.1
[M+HCOO]-	216.09897	160.4
[M+CH3COO]-	230.11462	198.6
[M+Na-2H]-	192.07544	145.0
[M]+	171.10022	136.6
[M]-	171.10132	136.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.