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]+ 264.09788 158.4
[M+Na]+ 286.07982 173.8
[M-H]- 262.08332 161.3
[M+NH4]+ 281.12442 169.7
[M+K]+ 302.05376 166.3
[M+H-H2O]+ 246.08786 147.0
[M+HCOO]- 308.08880 173.7
[M+CH3COO]- 322.10445 202.7
[M+Na-2H]- 284.06527 161.0
[M]+ 263.09005 160.0
[M]- 263.09115 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.