CID 268441

46762-88-3

Structural Information

Molecular Formula
C11H17N2O3P
SMILES
CC1(COP(=O)(OC1)NCC2=CC=CC=C2)N
InChI
InChI=1S/C11H17N2O3P/c1-11(12)8-15-17(14,16-9-11)13-7-10-5-3-2-4-6-10/h2-6H,7-9,12H2,1H3,(H,13,14)
InChIKey
ZPUBXQKRZFHQIS-UHFFFAOYSA-N
Compound name
2-N-benzyl-5-methyl-2-oxo-1,3,2lambda5-dioxaphosphinane-2,5-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.0977 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.10498 158.6
[M+Na]+ 279.08692 164.2
[M-H]- 255.09042 164.6
[M+NH4]+ 274.13152 175.9
[M+K]+ 295.06086 164.7
[M+H-H2O]+ 239.09496 149.6
[M+HCOO]- 301.09590 184.8
[M+CH3COO]- 315.11155 196.5
[M+Na-2H]- 277.07237 164.1
[M]+ 256.09715 157.0
[M]- 256.09825 157.0
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.