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 147.0
[M+Na]+ 248.05294 155.7
[M-H]- 224.05644 149.5
[M+NH4]+ 243.09754 169.8
[M+K]+ 264.02688 154.8
[M+H-H2O]+ 208.06098 144.6
[M+HCOO]- 270.06192 163.7
[M+CH3COO]- 284.07757 187.1
[M+Na-2H]- 246.03839 147.3
[M]+ 225.06317 148.8
[M]- 225.06427 148.8
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