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]+ 226.07100 143.1
[M+Na]+ 248.05294 152.5
[M-H]- 224.05644 143.7
[M+NH4]+ 243.09754 159.4
[M+K]+ 264.02688 150.4
[M+H-H2O]+ 208.06098 130.7
[M+HCOO]- 270.06192 159.0
[M+CH3COO]- 284.07757 193.9
[M+Na-2H]- 246.03839 144.0
[M]+ 225.06317 140.5
[M]- 225.06427 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