CID 200573

Brn 1324786

Structural Information

Molecular Formula
C10H20N4O2P2
SMILES
C1CN1P(=O)(CCP(=O)(N2CC2)N3CC3)N4CC4
InChI
InChI=1S/C10H20N4O2P2/c15-17(11-1-2-11,12-3-4-12)9-10-18(16,13-5-6-13)14-7-8-14/h1-10H2
InChIKey
MHYVJFCEVDKSQO-UHFFFAOYSA-N
Compound name
1-[aziridin-1-yl-[2-[bis(aziridin-1-yl)phosphoryl]ethyl]phosphoryl]aziridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.10614 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.11342 217.9
[M+Na]+ 313.09536 215.9
[M-H]- 289.09886 218.8
[M+NH4]+ 308.13996 210.4
[M+K]+ 329.06930 216.0
[M+H-H2O]+ 273.10340 210.6
[M+HCOO]- 335.10434 227.4
[M+CH3COO]- 349.11999 230.0
[M+Na-2H]- 311.08081 208.3
[M]+ 290.10559 219.2
[M]- 290.10669 219.2
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.