CID 150776

Nsc 25958

Structural Information

Molecular Formula

C₃H₅N₅O₃

SMILES

C1CN(C(=N1)N[N+](=O)[O-])N=O

InChI

InChI=1S/C3H5N5O3/c9-6-7-2-1-4-3(7)5-8(10)11/h1-2H2,(H,4,5)

InChIKey

URLUXESKZAUYLB-UHFFFAOYSA-N

Compound name

N-(1-nitroso-4,5-dihydroimidazol-2-yl)nitramide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 159.03925 Da
Monoisotopic Mass: -0.3
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]+	160.04653	124.1
[M+Na]+	182.02847	131.3
[M-H]-	158.03197	127.0
[M+NH4]+	177.07307	143.1
[M+K]+	198.00241	128.1
[M+H-H2O]+	142.03651	121.0
[M+HCOO]-	204.03745	152.4
[M+CH3COO]-	218.05310	174.1
[M+Na-2H]-	180.01392	134.7
[M]+	159.03870	121.9
[M]-	159.03980	121.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.