CID 9588647

2h-isoindole-1-ethanimidamide, 1,3-dihydro-n-hydroxy-1-oxo-

Structural Information

Molecular Formula
C10H11N3O2
SMILES
C1C2=CC=CC=C2C(=O)N1C/C(=N/O)/N
InChI
InChI=1S/C10H11N3O2/c11-9(12-15)6-13-5-7-3-1-2-4-8(7)10(13)14/h1-4,15H,5-6H2,(H2,11,12)
InChIKey
RRERQTPQWFMJSD-UHFFFAOYSA-N
Compound name
N'-hydroxy-2-(3-oxo-1H-isoindol-2-yl)ethanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.08513 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.09241 142.1
[M+Na]+ 228.07435 149.7
[M-H]- 204.07785 145.1
[M+NH4]+ 223.11895 161.8
[M+K]+ 244.04829 147.0
[M+H-H2O]+ 188.08239 135.4
[M+HCOO]- 250.08333 165.5
[M+CH3COO]- 264.09898 188.9
[M+Na-2H]- 226.05980 146.9
[M]+ 205.08458 140.1
[M]- 205.08568 140.1
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

patents stripe