CID 16217735

Diethyl 3,4-propylenedioxypyrrole-2,5-dicarboxylate

Structural Information

Molecular Formula
C13H17NO6
SMILES
CCOC(=O)C1=C2C(=C(N1)C(=O)OCC)OCCCO2
InChI
InChI=1S/C13H17NO6/c1-3-17-12(15)8-10-11(20-7-5-6-19-10)9(14-8)13(16)18-4-2/h14H,3-7H2,1-2H3
InChIKey
OSXOFGHIVBAAEW-UHFFFAOYSA-N
Compound name
diethyl 2,3,4,7-tetrahydro-[1,4]dioxepino[2,3-c]pyrrole-6,8-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.1056 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.11288 163.3
[M+Na]+ 306.09482 169.8
[M+NH4]+ 301.13942 167.3
[M+K]+ 322.06876 170.6
[M-H]- 282.09832 163.4
[M+Na-2H]- 304.08027 162.6
[M]+ 283.10505 163.8
[M]- 283.10615 163.8
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.