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]+ 223.08257 145.0
[M+Na]+ 245.06451 150.4
[M-H]- 221.06801 152.6
[M+NH4]+ 240.10911 162.8
[M+K]+ 261.03845 146.3
[M+H-H2O]+ 205.07255 141.6
[M+HCOO]- 267.07349 173.7
[M+CH3COO]- 281.08914 184.9
[M+Na-2H]- 243.04996 153.2
[M]+ 222.07474 143.3
[M]- 222.07584 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.