CID 69800

N-isobutyl-n-nitrosourea

Structural Information

Molecular Formula

C₅H₁₁N₃O₂

SMILES

CC(C)CN(C(=O)N)N=O

InChI

InChI=1S/C5H11N3O2/c1-4(2)3-8(7-10)5(6)9/h4H,3H2,1-2H3,(H2,6,9)

InChIKey

SRSYSQPJIQFKKN-UHFFFAOYSA-N

Compound name

1-(2-methylpropyl)-1-nitrosourea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 145.08513 Da
Monoisotopic Mass: 1.2
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]+	146.09241	131.0
[M+Na]+	168.07435	137.8
[M+NH4]+	163.11895	137.4
[M+K]+	184.04829	135.2
[M-H]-	144.07785	131.0
[M+Na-2H]-	166.05980	133.8
[M]+	145.08458	131.4
[M]-	145.08568	131.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.