CID 9570836

Brn 4468767

Structural Information

Molecular Formula
C9H10N4O3
SMILES
C1CC(=NC1)N/N=C/C2=CC=C(O2)[N+](=O)[O-]
InChI
InChI=1S/C9H10N4O3/c14-13(15)9-4-3-7(16-9)6-11-12-8-2-1-5-10-8/h3-4,6H,1-2,5H2,(H,10,12)/b11-6+
InChIKey
SOZCIPHJLJYBHH-IZZDOVSWSA-N
Compound name
N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-3,4-dihydro-2H-pyrrol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.07529 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.082566 145.0
[M+Na]+ 245.064508 150.4
[M-H]- 221.068014 152.6
[M+NH4]+ 240.109113 162.8
[M+K]+ 261.038448 146.3
[M+H-H2O]+ 205.072550 141.6
[M+HCOO]- 267.073491 173.7
[M+CH3COO]- 281.089141 184.9
[M+Na-2H]- 243.049956 153.2
[M]+ 222.07474142 143.3
[M]- 222.07583858 143.3
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.