CID 54592517

Tert-butyl n-[1-(n'-hydroxycarbamimidoyl)-2-methylpropyl]carbamate

Structural Information

Molecular Formula

C₁₀H₂₁N₃O₃

SMILES

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

InChI

InChI=1S/C10H21N3O3/c1-6(2)7(8(11)13-15)12-9(14)16-10(3,4)5/h6-7,15H,1-5H3,(H2,11,13)(H,12,14)

InChIKey

FOCOPBKUZMDGDR-UHFFFAOYSA-N

Compound name

tert-butyl N-[(1Z)-1-amino-1-hydroxyimino-3-methylbutan-2-yl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 231.1583 Da
Monoisotopic Mass: 1.5
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]+	232.165576	156.4
[M+Na]+	254.147518	159.7
[M-H]-	230.151024	156.0
[M+NH4]+	249.192123	173.2
[M+K]+	270.121458	160.9
[M+H-H2O]+	214.155560	150.5
[M+HCOO]-	276.156501	177.0
[M+CH3COO]-	290.172151	199.1
[M+Na-2H]-	252.132966	156.8
[M]+	231.15775142	155.1
[M]-	231.15884858	155.1

Literature stripe

literature stripe

Patent stripe

patents stripe