CID 162342393

2248378-18-7

Structural Information

Molecular Formula

C₁₄H₁₃NO₅

SMILES

CC1(CCOC1)C(=O)ON2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C14H13NO5/c1-14(6-7-19-8-14)13(18)20-15-11(16)9-4-2-3-5-10(9)12(15)17/h2-5H,6-8H2,1H3

InChIKey

MEJHIYHHFUCYMH-UHFFFAOYSA-N

Compound name

(1,3-dioxoisoindol-2-yl) 3-methyloxolane-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 275.07938 Da
Monoisotopic Mass: 1.3
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]+	276.086656	157.8
[M+Na]+	298.068598	166.4
[M-H]-	274.072104	165.3
[M+NH4]+	293.113203	177.6
[M+K]+	314.042538	165.4
[M+H-H2O]+	258.076640	152.4
[M+HCOO]-	320.077581	177.5
[M+CH3COO]-	334.093231	194.8
[M+Na-2H]-	296.054046	159.9
[M]+	275.07883142	160.0
[M]-	275.07992858	160.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe