CID 54147

Brn 4425348

Structural Information

Molecular Formula
C9H11N3O2
SMILES
C1CC(=NC1)NNC(=O)C2=CC=CO2
InChI
InChI=1S/C9H11N3O2/c13-9(7-3-2-6-14-7)12-11-8-4-1-5-10-8/h2-3,6H,1,4-5H2,(H,10,11)(H,12,13)
InChIKey
MFGNINKCNWCJIO-UHFFFAOYSA-N
Compound name
N'-(3,4-dihydro-2H-pyrrol-5-yl)furan-2-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

193.08513 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.092406 139.9
[M+Na]+ 216.074348 145.6
[M-H]- 192.077854 146.1
[M+NH4]+ 211.118953 159.1
[M+K]+ 232.048288 145.5
[M+H-H2O]+ 176.082390 132.4
[M+HCOO]- 238.083331 165.5
[M+CH3COO]- 252.098981 182.1
[M+Na-2H]- 214.059796 145.2
[M]+ 193.08458142 138.3
[M]- 193.08567858 138.3
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.