CID 65365050

1483958-78-6

Structural Information

Molecular Formula
C10H10N2O3
SMILES
COCN1C(=O)C2=C(C1=O)C=C(C=C2)N
InChI
InChI=1S/C10H10N2O3/c1-15-5-12-9(13)7-3-2-6(11)4-8(7)10(12)14/h2-4H,5,11H2,1H3
InChIKey
HXXYAEGIKZLIGJ-UHFFFAOYSA-N
Compound name
5-amino-2-(methoxymethyl)isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.06914 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.076416 140.9
[M+Na]+ 229.058358 151.4
[M-H]- 205.061864 144.6
[M+NH4]+ 224.102963 161.5
[M+K]+ 245.032298 148.7
[M+H-H2O]+ 189.066400 135.0
[M+HCOO]- 251.067341 164.5
[M+CH3COO]- 265.082991 188.2
[M+Na-2H]- 227.043806 145.1
[M]+ 206.06859142 142.6
[M]- 206.06968858 142.6
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.