CID 89937136

1239017-80-1

Structural Information

Molecular Formula
C9H11N3O4
SMILES
CC1(N=N1)CCC(=O)ON2C(=O)CCC2=O
InChI
InChI=1S/C9H11N3O4/c1-9(10-11-9)5-4-8(15)16-12-6(13)2-3-7(12)14/h2-5H2,1H3
InChIKey
SYYLQNPWAPHRFV-UHFFFAOYSA-N
Compound name
(2,5-dioxopyrrolidin-1-yl) 3-(3-methyldiazirin-3-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

261
Patents

225.07495 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.082226 156.9
[M+Na]+ 248.064168 168.0
[M-H]- 224.067674 160.8
[M+NH4]+ 243.108773 169.9
[M+K]+ 264.038108 165.1
[M+H-H2O]+ 208.072210 149.9
[M+HCOO]- 270.073151 176.9
[M+CH3COO]- 284.088801 189.2
[M+Na-2H]- 246.049616 159.7
[M]+ 225.07440142 162.6
[M]- 225.07549858 162.6
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