CID 13362

1-butyl-1-nitrosourea

Structural Information

Molecular Formula

C₅H₁₁N₃O₂

SMILES

CCCCN(C(=O)N)N=O

InChI

InChI=1S/C5H11N3O2/c1-2-3-4-8(7-10)5(6)9/h2-4H2,1H3,(H2,6,9)

InChIKey

LSWOCDLIYSKTRX-UHFFFAOYSA-N

Compound name

1-butyl-1-nitrosourea

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 53
References: 31
Patents: 145.08513 Da
Monoisotopic Mass: 1.1
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	130.6
[M+Na]+	168.07435	137.7
[M+NH4]+	163.11895	137.1
[M+K]+	184.04829	134.3
[M-H]-	144.07785	130.8
[M+Na-2H]-	166.05980	133.7
[M]+	145.08458	131.0
[M]-	145.08568	131.0

Literature stripe

literature stripe

Patent stripe

patents stripe