CID 9588649

Alpha-methyl oxo-1 dihydro-1,3 2h-isoindole-2 acetamidoxime [french]

Structural Information

Molecular Formula
C11H13N3O2
SMILES
CC(/C(=N/O)/N)N1CC2=CC=CC=C2C1=O
InChI
InChI=1S/C11H13N3O2/c1-7(10(12)13-16)14-6-8-4-2-3-5-9(8)11(14)15/h2-5,7,16H,6H2,1H3,(H2,12,13)
InChIKey
JQTOKHDZSPXYLO-UHFFFAOYSA-N
Compound name
N'-hydroxy-2-(3-oxo-1H-isoindol-2-yl)propanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.10077 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.10805 147.5
[M+Na]+ 242.08999 154.3
[M-H]- 218.09349 150.4
[M+NH4]+ 237.13459 166.6
[M+K]+ 258.06393 152.0
[M+H-H2O]+ 202.09803 140.7
[M+HCOO]- 264.09897 169.5
[M+CH3COO]- 278.11462 192.8
[M+Na-2H]- 240.07544 150.5
[M]+ 219.10022 145.2
[M]- 219.10132 145.2
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.