CID 17750

1,1'-sebacoylbisaziridine

Structural Information

Molecular Formula

C₁₄H₂₄N₂O₂

SMILES

C1CN1C(=O)CCCCCCCCC(=O)N2CC2

InChI

InChI=1S/C14H24N2O2/c17-13(15-9-10-15)7-5-3-1-2-4-6-8-14(18)16-11-12-16/h1-12H2

InChIKey

ZZGUAVHBALZHBW-UHFFFAOYSA-N

Compound name

1,10-bis(aziridin-1-yl)decane-1,10-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 252.18378 Da
Monoisotopic Mass: 1.5
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]+	253.191056	179.1
[M+Na]+	275.172998	184.4
[M-H]-	251.176504	182.7
[M+NH4]+	270.217603	182.9
[M+K]+	291.146938	180.7
[M+H-H2O]+	235.181040	170.8
[M+HCOO]-	297.181981	195.1
[M+CH3COO]-	311.197631	206.0
[M+Na-2H]-	273.158446	177.9
[M]+	252.18323142	184.7
[M]-	252.18432858	184.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe