CID 135416871

40461-97-0

Structural Information

Molecular Formula
C12H11NO3
SMILES
C1=CC=C2C(=C1)C(=C(C2=O)C=NCCO)O
InChI
InChI=1S/C12H11NO3/c14-6-5-13-7-10-11(15)8-3-1-2-4-9(8)12(10)16/h1-4,7,14-15H,5-6H2
InChIKey
SNLMFEPOVGGXMK-UHFFFAOYSA-N
Compound name
3-hydroxy-2-(2-hydroxyethyliminomethyl)inden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.0739 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.08118 144.4
[M+Na]+ 240.06312 153.8
[M-H]- 216.06662 148.4
[M+NH4]+ 235.10772 165.3
[M+K]+ 256.03706 150.0
[M+H-H2O]+ 200.07116 139.0
[M+HCOO]- 262.07210 169.2
[M+CH3COO]- 276.08775 187.4
[M+Na-2H]- 238.04857 149.8
[M]+ 217.07335 146.3
[M]- 217.07445 146.3
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.