CID 9588334

1h-imidazole-2-carboxaldehyde, 1-methyl-5-nitro-, (3,4-dihydro-2h-pyrrol-5-yl)hydrazone

Structural Information

Molecular Formula
C9H12N6O2
SMILES
CN1C(=CN=C1/C=N/NC2=NCCC2)[N+](=O)[O-]
InChI
InChI=1S/C9H12N6O2/c1-14-8(11-6-9(14)15(16)17)5-12-13-7-3-2-4-10-7/h5-6H,2-4H2,1H3,(H,10,13)/b12-5+
InChIKey
WGGSQSTVBOEZBW-LFYBBSHMSA-N
Compound name
N-[(E)-(1-methyl-5-nitroimidazol-2-yl)methylideneamino]-3,4-dihydro-2H-pyrrol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.10217 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.109446 148.3
[M+Na]+ 259.091388 154.7
[M-H]- 235.094894 153.3
[M+NH4]+ 254.135993 164.6
[M+K]+ 275.065328 149.2
[M+H-H2O]+ 219.099430 143.2
[M+HCOO]- 281.100371 175.2
[M+CH3COO]- 295.116021 189.4
[M+Na-2H]- 257.076836 155.4
[M]+ 236.10162142 145.9
[M]- 236.10271858 145.9
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.