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

10
Patents

226.14297 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.15025 168.5
[M+Na]+ 249.13219 174.1
[M-H]- 225.13569 172.7
[M+NH4]+ 244.17679 172.8
[M+K]+ 265.10613 170.2
[M+H-H2O]+ 209.14023 160.9
[M+HCOO]- 271.14117 187.5
[M+CH3COO]- 285.15682 203.3
[M+Na-2H]- 247.11764 169.9
[M]+ 226.14242 171.7
[M]- 226.14352 171.7
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

patents stripe