CID 162341752

1993468-91-9

Structural Information

Molecular Formula
C16H15NO6
SMILES
COC(=O)[C@@H]1CC[C@@H](C1)C(=O)ON2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C16H15NO6/c1-22-15(20)9-6-7-10(8-9)16(21)23-17-13(18)11-4-2-3-5-12(11)14(17)19/h2-5,9-10H,6-8H2,1H3/t9-,10+/m1/s1
InChIKey
SDNCQIDJJRPMEF-ZJUUUORDSA-N
Compound name
3-O-(1,3-dioxoisoindol-2-yl) 1-O-methyl (1R,3S)-cyclopentane-1,3-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.08994 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.09722 169.2
[M+Na]+ 340.07916 176.3
[M-H]- 316.08266 175.8
[M+NH4]+ 335.12376 186.5
[M+K]+ 356.05310 174.6
[M+H-H2O]+ 300.08720 163.0
[M+HCOO]- 362.08814 188.4
[M+CH3COO]- 376.10379 204.0
[M+Na-2H]- 338.06461 166.8
[M]+ 317.08939 171.6
[M]- 317.09049 171.6
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.