CID 9588334

Brn 4502226

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]+ 237.10945 148.3
[M+Na]+ 259.09139 157.7
[M+NH4]+ 254.13599 154.3
[M+K]+ 275.06533 159.4
[M-H]- 235.09489 151.2
[M+Na-2H]- 257.07684 153.8
[M]+ 236.10162 149.8
[M]- 236.10272 149.8
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.