CID 135464373

1-butyl-3-nitro-1-nitrosoguanidine

Structural Information

Molecular Formula

C₅H₁₁N₅O₃

SMILES

CCCCN(C(=N)N[N+](=O)[O-])N=O

InChI

InChI=1S/C5H11N5O3/c1-2-3-4-9(8-11)5(6)7-10(12)13/h2-4H2,1H3,(H2,6,7)

InChIKey

FJNCPBNCTRDXFB-UHFFFAOYSA-N

Compound name

1-butyl-3-nitro-1-nitrosoguanidine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 3
References: 0
Patents: 189.08618 Da
Monoisotopic Mass: 1.3
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]+	190.09346	138.3
[M+Na]+	212.07540	144.6
[M+NH4]+	207.12000	143.8
[M+K]+	228.04934	144.3
[M-H]-	188.07890	139.8
[M+Na-2H]-	210.06085	140.9
[M]+	189.08563	138.8
[M]-	189.08673	138.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.