CID 9587903

Imidazole, 5-(4-hydroxypiperidinoiminomethyl)-1-methyl-2-nitro-

Structural Information

Molecular Formula
C10H15N5O3
SMILES
CN1C(=CN=C1[N+](=O)[O-])/C=N/N2CCC(CC2)O
InChI
InChI=1S/C10H15N5O3/c1-13-8(6-11-10(13)15(17)18)7-12-14-4-2-9(16)3-5-14/h6-7,9,16H,2-5H2,1H3/b12-7+
InChIKey
RGSDLKYGWFMEDB-KPKJPENVSA-N
Compound name
1-[(E)-(3-methyl-2-nitroimidazol-4-yl)methylideneamino]piperidin-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.1175 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.124776 154.9
[M+Na]+ 276.106718 160.4
[M-H]- 252.110224 157.7
[M+NH4]+ 271.151323 168.3
[M+K]+ 292.080658 154.0
[M+H-H2O]+ 236.114760 150.2
[M+HCOO]- 298.115701 175.6
[M+CH3COO]- 312.131351 189.3
[M+Na-2H]- 274.092166 160.1
[M]+ 253.11695142 150.0
[M]- 253.11804858 150.0
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.