CID 27196

Tris(2,2-dimethylaziridinyl)phosphine oxide

Structural Information

Molecular Formula
C12H24N3OP
SMILES
CC1(CN1P(=O)(N2CC2(C)C)N3CC3(C)C)C
InChI
InChI=1S/C12H24N3OP/c1-10(2)7-13(10)17(16,14-8-11(14,3)4)15-9-12(15,5)6/h7-9H2,1-6H3
InChIKey
MPSCILDWLMBJKC-UHFFFAOYSA-N
Compound name
1-bis(2,2-dimethylaziridin-1-yl)phosphoryl-2,2-dimethylaziridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

257.1657 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.17298 199.4
[M+Na]+ 280.15492 203.4
[M-H]- 256.15842 203.2
[M+NH4]+ 275.19952 200.9
[M+K]+ 296.12886 206.5
[M+H-H2O]+ 240.16296 195.1
[M+HCOO]- 302.16390 210.7
[M+CH3COO]- 316.17955 218.9
[M+Na-2H]- 278.14037 195.2
[M]+ 257.16515 205.8
[M]- 257.16625 205.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe