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
1
Annotation Hits

2
References

239
Patents

130.04907 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.05635 120.3
[M+Na]+ 153.03829 126.6
[M-H]- 129.04179 120.1
[M+NH4]+ 148.08289 139.3
[M+K]+ 169.01223 121.9
[M+H-H2O]+ 113.04633 117.9
[M+HCOO]- 175.04727 144.3
[M+CH3COO]- 189.06292 161.5
[M+Na-2H]- 151.02374 129.9
[M]+ 130.04852 114.2
[M]- 130.04962 114.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.