CID 162342388

2127881-32-5

Structural Information

Molecular Formula
C13H11NO5
SMILES
C1COCC1C(=O)ON2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C13H11NO5/c15-11-9-3-1-2-4-10(9)12(16)14(11)19-13(17)8-5-6-18-7-8/h1-4,8H,5-7H2
InChIKey
JNYDZIWMKNMTSZ-UHFFFAOYSA-N
Compound name
(1,3-dioxoisoindol-2-yl) oxolane-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.06372 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.07100 154.0
[M+Na]+ 284.05294 162.0
[M-H]- 260.05644 161.3
[M+NH4]+ 279.09754 172.3
[M+K]+ 300.02688 161.1
[M+H-H2O]+ 244.06098 148.2
[M+HCOO]- 306.06192 174.1
[M+CH3COO]- 320.07757 192.3
[M+Na-2H]- 282.03839 155.3
[M]+ 261.06317 155.6
[M]- 261.06427 155.6
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.