CID 3137923

129761-47-3

Structural Information

Molecular Formula
C11H15NO4
SMILES
CC(C(=O)O)N1C(=O)C2CCCCC2C1=O
InChI
InChI=1S/C11H15NO4/c1-6(11(15)16)12-9(13)7-4-2-3-5-8(7)10(12)14/h6-8H,2-5H2,1H3,(H,15,16)
InChIKey
GNMJZTJCEDYPIE-UHFFFAOYSA-N
Compound name
2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

225.10011 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.10739 149.8
[M+Na]+ 248.08933 157.4
[M+NH4]+ 243.13393 155.9
[M+K]+ 264.06327 156.1
[M-H]- 224.09283 148.2
[M+Na-2H]- 246.07478 149.4
[M]+ 225.09956 149.8
[M]- 225.10066 149.8
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