CID 315736

1212310-79-6

Structural Information

Molecular Formula
C10H11NO5
SMILES
C1CC2C3C(C1O2)C(=O)N(C3=O)CC(=O)O
InChI
InChI=1S/C10H11NO5/c12-6(13)3-11-9(14)7-4-1-2-5(16-4)8(7)10(11)15/h4-5,7-8H,1-3H2,(H,12,13)
InChIKey
JEHKXTYZFSUTKK-UHFFFAOYSA-N
Compound name
2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.06372 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.07100 147.2
[M+Na]+ 248.05294 153.5
[M+NH4]+ 243.09754 153.7
[M+K]+ 264.02688 156.8
[M-H]- 224.05644 145.3
[M+Na-2H]- 246.03839 143.2
[M]+ 225.06317 146.9
[M]- 225.06427 146.9
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.