CID 208874

35457-98-8

Structural Information

Molecular Formula
C15H15NO6
SMILES
COC(=O)CC[C@@H](C(=O)OC)N1C(=O)C2=CC=CC=C2C1=O
InChI
InChI=1S/C15H15NO6/c1-21-12(17)8-7-11(15(20)22-2)16-13(18)9-5-3-4-6-10(9)14(16)19/h3-6,11H,7-8H2,1-2H3/t11-/m0/s1
InChIKey
AGWBTFOIAUGNNH-NSHDSACASA-N
Compound name
dimethyl (2S)-2-(1,3-dioxoisoindol-2-yl)pentanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.08994 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.09722 167.1
[M+Na]+ 328.07916 175.9
[M+NH4]+ 323.12376 171.5
[M+K]+ 344.05310 174.8
[M-H]- 304.08266 164.9
[M+Na-2H]- 326.06461 167.8
[M]+ 305.08939 167.2
[M]- 305.09049 167.2
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

No patent data available for this compound.