CID 20086629

2-(1,3-dioxo-2,3-dihydro-1h-isoindol-2-yl)ethanimidamide hydrochloride

Structural Information

Molecular Formula
C10H9N3O2
SMILES
C1=CC=C2C(=C1)C(=O)N(C2=O)CC(=N)N
InChI
InChI=1S/C10H9N3O2/c11-8(12)5-13-9(14)6-3-1-2-4-7(6)10(13)15/h1-4H,5H2,(H3,11,12)
InChIKey
FMRNLBSPWGRRRT-UHFFFAOYSA-N
Compound name
2-(1,3-dioxoisoindol-2-yl)ethanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

203.06947 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.076746 141.1
[M+Na]+ 226.058688 149.9
[M-H]- 202.062194 144.5
[M+NH4]+ 221.103293 161.0
[M+K]+ 242.032628 146.5
[M+H-H2O]+ 186.066730 134.7
[M+HCOO]- 248.067671 164.6
[M+CH3COO]- 262.083321 190.0
[M+Na-2H]- 224.044136 145.2
[M]+ 203.06892142 138.8
[M]- 203.07001858 138.8
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

patents stripe