CID 23100

N,n'-tetramethylenebis(1-aziridinecarboxamide)

Structural Information

Molecular Formula

C₁₀H₁₈N₄O₂

SMILES

C1CN1C(=O)NCCCCNC(=O)N2CC2

InChI

InChI=1S/C10H18N4O2/c15-9(13-5-6-13)11-3-1-2-4-12-10(16)14-7-8-14/h1-8H2,(H,11,15)(H,12,16)

InChIKey

MOURVDBXDGXQCF-UHFFFAOYSA-N

Compound name

N-[4-(aziridine-1-carbonylamino)butyl]aziridine-1-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 226.14297 Da
Monoisotopic Mass: -0.9
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]+	227.150246	168.5
[M+Na]+	249.132188	174.1
[M-H]-	225.135694	172.7
[M+NH4]+	244.176793	172.8
[M+K]+	265.106128	170.2
[M+H-H2O]+	209.140230	160.9
[M+HCOO]-	271.141171	187.5
[M+CH3COO]-	285.156821	203.3
[M+Na-2H]-	247.117636	169.9
[M]+	226.14242142	171.7
[M]-	226.14351858	171.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe