CID 172952

Einecs 276-295-7

Structural Information

Molecular Formula
C14H21O3P
SMILES
CC1=CC(=C(C(=C1)C)OP2OCC(CO2)(C)C)C
InChI
InChI=1S/C14H21O3P/c1-10-6-11(2)13(12(3)7-10)17-18-15-8-14(4,5)9-16-18/h6-7H,8-9H2,1-5H3
InChIKey
XEYLUTQJFIWOBO-UHFFFAOYSA-N
Compound name
5,5-dimethyl-2-(2,4,6-trimethylphenoxy)-1,3,2-dioxaphosphinane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

268.12283 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.13011 164.3
[M+Na]+ 291.11205 172.1
[M-H]- 267.11555 171.5
[M+NH4]+ 286.15665 181.4
[M+K]+ 307.08599 172.9
[M+H-H2O]+ 251.12009 155.7
[M+HCOO]- 313.12103 188.3
[M+CH3COO]- 327.13668 200.6
[M+Na-2H]- 289.09750 165.6
[M]+ 268.12228 167.8
[M]- 268.12338 167.8
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

patents stripe