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]+ 207.07642 140.9
[M+Na]+ 229.05836 151.4
[M-H]- 205.06186 144.6
[M+NH4]+ 224.10296 161.5
[M+K]+ 245.03230 148.7
[M+H-H2O]+ 189.06640 135.0
[M+HCOO]- 251.06734 164.5
[M+CH3COO]- 265.08299 188.2
[M+Na-2H]- 227.04381 145.1
[M]+ 206.06859 142.6
[M]- 206.06969 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.