CID 5846291

303095-05-8

Structural Information

Molecular Formula
C9H10N2O3
SMILES
CN(C)/N=C(/C=O)\C1=CC=C(O1)C=O
InChI
InChI=1S/C9H10N2O3/c1-11(2)10-8(6-13)9-4-3-7(5-12)14-9/h3-6H,1-2H3/b10-8-
InChIKey
CPBDLQLRQNZDNG-NTMALXAHSA-N
Compound name
5-[(E)-N-(dimethylamino)-C-formylcarbonimidoyl]furan-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.06914 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.076416 140.7
[M+Na]+ 217.058358 148.3
[M-H]- 193.061864 148.1
[M+NH4]+ 212.102963 161.3
[M+K]+ 233.032298 149.8
[M+H-H2O]+ 177.066400 134.2
[M+HCOO]- 239.067341 169.3
[M+CH3COO]- 253.082991 192.1
[M+Na-2H]- 215.043806 146.1
[M]+ 194.06859142 145.3
[M]- 194.06968858 145.3
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.