CID 303581

39059-06-8

Structural Information

Molecular Formula
C10H11NO4
SMILES
C1C=CCC2C1C(=O)N(C2=O)CC(=O)O
InChI
InChI=1S/C10H11NO4/c12-8(13)5-11-9(14)6-3-1-2-4-7(6)10(11)15/h1-2,6-7H,3-5H2,(H,12,13)
InChIKey
HUBCVSQYCPCWEB-UHFFFAOYSA-N
Compound name
2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

1
Patents

209.0688 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.07608 144.4
[M+Na]+ 232.05802 153.5
[M+NH4]+ 227.10262 150.8
[M+K]+ 248.03196 151.4
[M-H]- 208.06152 143.2
[M+Na-2H]- 230.04347 145.5
[M]+ 209.06825 144.8
[M]- 209.06935 144.8
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