CID 9554487

Nsc659194

Structural Information

Molecular Formula
C11H12N2O3
SMILES
C/C(=N\O)/CC1(C2=CC=CC=C2NC1=O)O
InChI
InChI=1S/C11H12N2O3/c1-7(13-16)6-11(15)8-4-2-3-5-9(8)12-10(11)14/h2-5,15-16H,6H2,1H3,(H,12,14)/b13-7+
InChIKey
FMSUHJDSPXJLBK-NTUHNPAUSA-N
Compound name
3-hydroxy-3-[(2E)-2-hydroxyiminopropyl]-1H-indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

220.0848 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.092076 146.6
[M+Na]+ 243.074018 154.7
[M-H]- 219.077524 147.5
[M+NH4]+ 238.118623 166.9
[M+K]+ 259.047958 151.1
[M+H-H2O]+ 203.082060 141.3
[M+HCOO]- 265.083001 166.4
[M+CH3COO]- 279.098651 184.2
[M+Na-2H]- 241.059466 151.8
[M]+ 220.08425142 144.7
[M]- 220.08534858 144.7
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.