CID 132327894

2138805-68-0

Structural Information

Molecular Formula
C7H8N2O4
SMILES
COC(=O)C1=COC(=C1)/C(=N/O)/N
InChI
InChI=1S/C7H8N2O4/c1-12-7(10)4-2-5(13-3-4)6(8)9-11/h2-3,11H,1H3,(H2,8,9)
InChIKey
VXEQQYGCMQEBIC-UHFFFAOYSA-N
Compound name
methyl 5-[(Z)-N'-hydroxycarbamimidoyl]furan-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.0484 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.05568 136.7
[M+Na]+ 207.03762 143.8
[M-H]- 183.04112 141.0
[M+NH4]+ 202.08222 155.9
[M+K]+ 223.01156 144.8
[M+H-H2O]+ 167.04566 130.5
[M+HCOO]- 229.04660 162.3
[M+CH3COO]- 243.06225 182.7
[M+Na-2H]- 205.02307 141.1
[M]+ 184.04785 137.8
[M]- 184.04895 137.8
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.