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: 5
Patents: 331.1056 Da
Monoisotopic Mass: 2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	332.112876	172.4
[M+Na]+	354.094818	178.3
[M-H]-	330.098324	178.2
[M+NH4]+	349.139423	187.1
[M+K]+	370.068758	176.3
[M+H-H2O]+	314.102860	164.9
[M+HCOO]-	376.103801	189.0
[M+CH3COO]-	390.119451	207.5
[M+Na-2H]-	352.080266	171.0
[M]+	331.10505142	172.9
[M]-	331.10614858	172.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe