CID 200733

Brn 1326244

Structural Information

Molecular Formula
C14H30N2O4P2
SMILES
CCCCOP(=O)(CCP(=O)(N1CC1)N2CC2)OCCCC
InChI
InChI=1S/C14H30N2O4P2/c1-3-5-11-19-22(18,20-12-6-4-2)14-13-21(17,15-7-8-15)16-9-10-16/h3-14H2,1-2H3
InChIKey
DCSYHXNBOPTJIM-UHFFFAOYSA-N
Compound name
1-[aziridin-1-yl(2-dibutoxyphosphorylethyl)phosphoryl]aziridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.1681 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.17538 205.8
[M+Na]+ 375.15732 210.1
[M-H]- 351.16082 207.1
[M+NH4]+ 370.20192 207.0
[M+K]+ 391.13126 206.9
[M+H-H2O]+ 335.16536 194.2
[M+HCOO]- 397.16630 228.6
[M+CH3COO]- 411.18195 221.5
[M+Na-2H]- 373.14277 202.3
[M]+ 352.16755 215.9
[M]- 352.16865 215.9
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.