CID 410042

2-nitroamino-2-imidazoline

Structural Information

Molecular Formula

C₃H₆N₄O₂

SMILES

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

InChI

InChI=1S/C3H6N4O2/c8-7(9)6-3-4-1-2-5-3/h1-2H2,(H2,4,5,6)

InChIKey

DJZWNSRUEJSEEB-UHFFFAOYSA-N

Compound name

N-(4,5-dihydro-1H-imidazol-2-yl)nitramide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 239
Patents: 130.04907 Da
Monoisotopic Mass: -0.8
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]+	131.056346	120.3
[M+Na]+	153.038288	126.6
[M-H]-	129.041794	120.1
[M+NH4]+	148.082893	139.3
[M+K]+	169.012228	121.9
[M+H-H2O]+	113.046330	117.9
[M+HCOO]-	175.047271	144.3
[M+CH3COO]-	189.062921	161.5
[M+Na-2H]-	151.023736	129.9
[M]+	130.04852142	114.2
[M]-	130.04961858	114.2

Literature stripe

literature stripe

Patent stripe

patents stripe