CID 200576

Phosphonic diamide, p-1-aziridinyl-n,n'-dipropyl-

Structural Information

Molecular Formula
C8H20N3OP
SMILES
CCCNP(=O)(NCCC)N1CC1
InChI
InChI=1S/C8H20N3OP/c1-3-5-9-13(12,10-6-4-2)11-7-8-11/h3-8H2,1-2H3,(H2,9,10,12)
InChIKey
TVRJEPYWUFAORS-UHFFFAOYSA-N
Compound name
N-[aziridin-1-yl(propylamino)phosphoryl]propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.1344 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.14168 152.0
[M+Na]+ 228.12362 158.8
[M-H]- 204.12712 153.7
[M+NH4]+ 223.16822 165.1
[M+K]+ 244.09756 156.0
[M+H-H2O]+ 188.13166 142.9
[M+HCOO]- 250.13260 180.0
[M+CH3COO]- 264.14825 195.2
[M+Na-2H]- 226.10907 155.8
[M]+ 205.13385 155.8
[M]- 205.13495 155.8
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.