CID 135421536

23580-15-6

Structural Information

Molecular Formula
C12H11NO3
SMILES
CC(=NC1=CC=CC=C1)C2=C(COC2=O)O
InChI
InChI=1S/C12H11NO3/c1-8(11-10(14)7-16-12(11)15)13-9-5-3-2-4-6-9/h2-6,14H,7H2,1H3
InChIKey
HTVHSYGEKVVAOF-UHFFFAOYSA-N
Compound name
3-hydroxy-4-(C-methyl-N-phenylcarbonimidoyl)-2H-furan-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

217.0739 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.081176 145.8
[M+Na]+ 240.063118 153.4
[M-H]- 216.066624 153.7
[M+NH4]+ 235.107723 164.4
[M+K]+ 256.037058 152.2
[M+H-H2O]+ 200.071160 139.4
[M+HCOO]- 262.072101 170.4
[M+CH3COO]- 276.087751 188.1
[M+Na-2H]- 238.048566 150.2
[M]+ 217.07335142 146.4
[M]- 217.07444858 146.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.