CID 165842447

En300-6514766

Structural Information

Molecular Formula
C15H15NO6
SMILES
CC(C)(C)OC(=O)CC(=O)ON1C(=O)C2=CC=CC=C2C1=O
InChI
InChI=1S/C15H15NO6/c1-15(2,3)21-11(17)8-12(18)22-16-13(19)9-6-4-5-7-10(9)14(16)20/h4-7H,8H2,1-3H3
InChIKey
CBIKEZMBMAUWSG-UHFFFAOYSA-N
Compound name
1-O-tert-butyl 3-O-(1,3-dioxoisoindol-2-yl) propanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.08994 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.09722 165.7
[M+Na]+ 328.07916 174.0
[M-H]- 304.08266 169.4
[M+NH4]+ 323.12376 182.3
[M+K]+ 344.05310 172.9
[M+H-H2O]+ 288.08720 160.0
[M+HCOO]- 350.08814 184.5
[M+CH3COO]- 364.10379 202.6
[M+Na-2H]- 326.06461 168.0
[M]+ 305.08939 171.5
[M]- 305.09049 171.5
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

No patent data available for this compound.