CID 15557

Brn 1328127

Structural Information

Molecular Formula
C16H21NO6
SMILES
CCOC(=O)OC1=C(C=C(C=C1OC)C(=O)N2CCCC2)OC
InChI
InChI=1S/C16H21NO6/c1-4-22-16(19)23-14-12(20-2)9-11(10-13(14)21-3)15(18)17-7-5-6-8-17/h9-10H,4-8H2,1-3H3
InChIKey
DUAIGLRNLPDQIN-UHFFFAOYSA-N
Compound name
[2,6-dimethoxy-4-(pyrrolidine-1-carbonyl)phenyl] ethyl carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.1369 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.14418 174.2
[M+Na]+ 346.12612 183.2
[M+NH4]+ 341.17072 179.0
[M+K]+ 362.10006 181.4
[M-H]- 322.12962 174.2
[M+Na-2H]- 344.11157 177.0
[M]+ 323.13635 175.0
[M]- 323.13745 175.0
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.