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

227
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

literature stripe

Patent stripe

patents stripe