CID 366402

Nsc634771

Structural Information

Molecular Formula
C8H8N2O4
SMILES
C#CCNC(=O)ON1C(=O)CCC1=O
InChI
InChI=1S/C8H8N2O4/c1-2-5-9-8(13)14-10-6(11)3-4-7(10)12/h1H,3-5H2,(H,9,13)
InChIKey
MYMRMWYUCXLDAA-UHFFFAOYSA-N
Compound name
(2,5-dioxopyrrolidin-1-yl) N-prop-2-ynylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.0484 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.05568 138.7
[M+Na]+ 219.03762 148.0
[M-H]- 195.04112 139.4
[M+NH4]+ 214.08222 155.8
[M+K]+ 235.01156 146.0
[M+H-H2O]+ 179.04566 126.2
[M+HCOO]- 241.04660 155.8
[M+CH3COO]- 255.06225 190.4
[M+Na-2H]- 217.02307 140.5
[M]+ 196.04785 133.2
[M]- 196.04895 133.2
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.