CID 5373797

2-indolinone, 3-acetonyl-3-hydroxy-1-methyl-, 3-oxime

Structural Information

Molecular Formula
C12H14N2O3
SMILES
C/C(=N/O)/CC1(C2=CC=CC=C2N(C1=O)C)O
InChI
InChI=1S/C12H14N2O3/c1-8(13-17)7-12(16)9-5-3-4-6-10(9)14(2)11(12)15/h3-6,16-17H,7H2,1-2H3/b13-8-
InChIKey
YYHDTQKJGZYRKU-JYRVWZFOSA-N
Compound name
3-hydroxy-3-[(2Z)-2-hydroxyiminopropyl]-1-methylindol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.10045 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.107726 150.0
[M+Na]+ 257.089668 159.0
[M-H]- 233.093174 152.5
[M+NH4]+ 252.134273 170.8
[M+K]+ 273.063608 156.1
[M+H-H2O]+ 217.097710 144.6
[M+HCOO]- 279.098651 171.0
[M+CH3COO]- 293.114301 190.9
[M+Na-2H]- 255.075116 154.5
[M]+ 234.09990142 150.8
[M]- 234.10099858 150.8
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.