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

1
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

literature stripe

Patent stripe

patents stripe