CID 9588649

85475-50-9

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]+ 220.108046 147.5
[M+Na]+ 242.089988 154.3
[M-H]- 218.093494 150.4
[M+NH4]+ 237.134593 166.6
[M+K]+ 258.063928 152.0
[M+H-H2O]+ 202.098030 140.7
[M+HCOO]- 264.098971 169.5
[M+CH3COO]- 278.114621 192.8
[M+Na-2H]- 240.075436 150.5
[M]+ 219.10022142 145.2
[M]- 219.10131858 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.