CID 146075396

2248296-99-1

Structural Information

Molecular Formula
C17H17NO6
SMILES
COC(=O)C1CCC(CC1)C(=O)ON2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C17H17NO6/c1-23-16(21)10-6-8-11(9-7-10)17(22)24-18-14(19)12-4-2-3-5-13(12)15(18)20/h2-5,10-11H,6-9H2,1H3
InChIKey
XDBBCBMKMSMCTF-UHFFFAOYSA-N
Compound name
4-O-(1,3-dioxoisoindol-2-yl) 1-O-methyl cyclohexane-1,4-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

331.1056 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.11288 172.4
[M+Na]+ 354.09482 178.3
[M-H]- 330.09832 178.2
[M+NH4]+ 349.13942 187.1
[M+K]+ 370.06876 176.3
[M+H-H2O]+ 314.10286 164.9
[M+HCOO]- 376.10380 189.0
[M+CH3COO]- 390.11945 207.5
[M+Na-2H]- 352.08027 171.0
[M]+ 331.10505 172.9
[M]- 331.10615 172.9
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