CID 154726915

2012552-32-6

Structural Information

Molecular Formula
C12H13N3O4
SMILES
C#CCCC1(N=N1)CCC(=O)ON2C(=O)CCC2=O
InChI
InChI=1S/C12H13N3O4/c1-2-3-7-12(13-14-12)8-6-11(18)19-15-9(16)4-5-10(15)17/h1H,3-8H2
InChIKey
MRJPJWSDBMGZAO-UHFFFAOYSA-N
Compound name
(2,5-dioxopyrrolidin-1-yl) 3-(3-but-3-ynyldiazirin-3-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.0906 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.097876 158.4
[M+Na]+ 286.079818 173.8
[M-H]- 262.083324 161.3
[M+NH4]+ 281.124423 169.7
[M+K]+ 302.053758 166.3
[M+H-H2O]+ 246.087860 147.0
[M+HCOO]- 308.088801 173.7
[M+CH3COO]- 322.104451 202.7
[M+Na-2H]- 284.065266 161.0
[M]+ 263.09005142 160.0
[M]- 263.09114858 160.0
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.