CID 51340986

1174157-65-3

Structural Information

Molecular Formula
C10H11NO5
SMILES
C#CCOCCC(=O)ON1C(=O)CCC1=O
InChI
InChI=1S/C10H11NO5/c1-2-6-15-7-5-10(14)16-11-8(12)3-4-9(11)13/h1H,3-7H2
InChIKey
WKIKHHMUNOVQLD-UHFFFAOYSA-N
Compound name
(2,5-dioxopyrrolidin-1-yl) 3-prop-2-ynoxypropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

265
Patents

225.06372 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.070996 143.1
[M+Na]+ 248.052938 152.5
[M-H]- 224.056444 143.7
[M+NH4]+ 243.097543 159.4
[M+K]+ 264.026878 150.4
[M+H-H2O]+ 208.060980 130.7
[M+HCOO]- 270.061921 159.0
[M+CH3COO]- 284.077571 193.9
[M+Na-2H]- 246.038386 144.0
[M]+ 225.06317142 140.5
[M]- 225.06426858 140.5
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