CID 3042632

Tem-10

Structural Information

Molecular Formula
C16H34NO4P
SMILES
CCCCCCCCCCP1(=O)OCCN(CCO1)CCO
InChI
InChI=1S/C16H34NO4P/c1-2-3-4-5-6-7-8-9-16-22(19)20-14-11-17(10-13-18)12-15-21-22/h18H,2-16H2,1H3
InChIKey
KEICUBJHMOUMBG-UHFFFAOYSA-N
Compound name
2-(2-decyl-2-oxo-1,3,6,2lambda5-dioxazaphosphocan-6-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

125
Patents

335.22253 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.22981 174.5
[M+Na]+ 358.21175 177.3
[M-H]- 334.21525 174.3
[M+NH4]+ 353.25635 179.8
[M+K]+ 374.18569 178.1
[M+H-H2O]+ 318.21979 169.1
[M+HCOO]- 380.22073 182.7
[M+CH3COO]- 394.23638 233.1
[M+Na-2H]- 356.19720 171.9
[M]+ 335.22198 175.9
[M]- 335.22308 175.9
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

patents stripe