CID 366403

Nsc634772

Structural Information

Molecular Formula
C8H10N2O4
SMILES
C=CCNC(=O)ON1C(=O)CCC1=O
InChI
InChI=1S/C8H10N2O4/c1-2-5-9-8(13)14-10-6(11)3-4-7(10)12/h2H,1,3-5H2,(H,9,13)
InChIKey
HZOPATIHELMVJK-UHFFFAOYSA-N
Compound name
(2,5-dioxopyrrolidin-1-yl) N-prop-2-enylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.06406 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.07134 139.7
[M+Na]+ 221.05328 147.0
[M-H]- 197.05678 142.0
[M+NH4]+ 216.09788 159.0
[M+K]+ 237.02722 146.0
[M+H-H2O]+ 181.06132 133.5
[M+HCOO]- 243.06226 162.8
[M+CH3COO]- 257.07791 183.2
[M+Na-2H]- 219.03873 142.2
[M]+ 198.06351 139.7
[M]- 198.06461 139.7
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.