CID 3054406

71293-85-1

Structural Information

Molecular Formula
C13H28NO3P
SMILES
CCN(CC)CCOP(=O)(C)OC1CCCCC1
InChI
InChI=1S/C13H28NO3P/c1-4-14(5-2)11-12-16-18(3,15)17-13-9-7-6-8-10-13/h13H,4-12H2,1-3H3
InChIKey
OGHMWBWBXSUGQH-UHFFFAOYSA-N
Compound name
2-[cyclohexyloxy(methyl)phosphoryl]oxy-N,N-diethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.1807 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.18798 169.7
[M+Na]+ 300.16992 171.5
[M-H]- 276.17342 171.6
[M+NH4]+ 295.21452 186.3
[M+K]+ 316.14386 171.9
[M+H-H2O]+ 260.17796 160.4
[M+HCOO]- 322.17890 194.4
[M+CH3COO]- 336.19455 205.5
[M+Na-2H]- 298.15537 169.5
[M]+ 277.18015 171.9
[M]- 277.18125 171.9
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.