CID 118384301

1425803-45-7

Structural Information

Molecular Formula
C14H17NO5
SMILES
C1CCC#CC(CC1)OCC(=O)ON2C(=O)CCC2=O
InChI
InChI=1S/C14H17NO5/c16-12-8-9-13(17)15(12)20-14(18)10-19-11-6-4-2-1-3-5-7-11/h11H,1-4,6,8-10H2
InChIKey
KSXCIPWSNSHGIM-UHFFFAOYSA-N
Compound name
(2,5-dioxopyrrolidin-1-yl) 2-cyclooct-2-yn-1-yloxyacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

279.1107 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.11798 158.4
[M+Na]+ 302.09992 160.7
[M+NH4]+ 297.14452 160.2
[M+K]+ 318.07386 160.8
[M-H]- 278.10342 158.4
[M+Na-2H]- 300.08537 159.9
[M]+ 279.11015 158.5
[M]- 279.11125 158.5
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

patents stripe