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: 449
Patents: 225.07495 Da
Monoisotopic Mass: -0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	226.08223	156.9
[M+Na]+	248.06417	168.0
[M-H]-	224.06767	160.8
[M+NH4]+	243.10877	169.9
[M+K]+	264.03811	165.1
[M+H-H2O]+	208.07221	149.9
[M+HCOO]-	270.07315	176.9
[M+CH3COO]-	284.08880	189.2
[M+Na-2H]-	246.04962	159.7
[M]+	225.07440	162.6
[M]-	225.07550	162.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe