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 165.5
[M+Na]+ 328.07916 173.0
[M-H]- 304.08266 168.8
[M+NH4]+ 323.12376 181.8
[M+K]+ 344.05310 171.9
[M+H-H2O]+ 288.08720 159.0
[M+HCOO]- 350.08814 184.9
[M+CH3COO]- 364.10379 203.8
[M+Na-2H]- 326.06461 165.3
[M]+ 305.08939 171.2
[M]- 305.09049 171.2
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.