CID 9587904

Brn 0682630

Structural Information

Molecular Formula
C12H20N6O2
SMILES
CN1C(=CN=C1[N+](=O)[O-])/C=N/N2CCC(CC2)N(C)C
InChI
InChI=1S/C12H20N6O2/c1-15(2)10-4-6-17(7-5-10)14-9-11-8-13-12(16(11)3)18(19)20/h8-10H,4-7H2,1-3H3/b14-9+
InChIKey
XYXNTVOEEWYIIF-NTEUORMPSA-N
Compound name
N,N-dimethyl-1-[(E)-(3-methyl-2-nitroimidazol-4-yl)methylideneamino]piperidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.16476 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.17204 163.7
[M+Na]+ 303.15398 168.2
[M-H]- 279.15748 169.0
[M+NH4]+ 298.19858 177.2
[M+K]+ 319.12792 163.0
[M+H-H2O]+ 263.16202 158.1
[M+HCOO]- 325.16296 186.5
[M+CH3COO]- 339.17861 204.2
[M+Na-2H]- 301.13943 168.3
[M]+ 280.16421 160.6
[M]- 280.16531 160.6
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.