CID 95951

Phosphoric acid, tris(2-methylallyl)-

Structural Information

Molecular Formula
C12H21O4P
SMILES
CC(=C)COP(=O)(OCC(=C)C)OCC(=C)C
InChI
InChI=1S/C12H21O4P/c1-10(2)7-14-17(13,15-8-11(3)4)16-9-12(5)6/h1,3,5,7-9H2,2,4,6H3
InChIKey
LYCYFGAHVYXPMF-UHFFFAOYSA-N
Compound name
tris(2-methylprop-2-enyl) phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

260.11774 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.12502 162.6
[M+Na]+ 283.10696 167.9
[M-H]- 259.11046 161.2
[M+NH4]+ 278.15156 179.9
[M+K]+ 299.08090 167.2
[M+H-H2O]+ 243.11500 155.5
[M+HCOO]- 305.11594 187.0
[M+CH3COO]- 319.13159 199.2
[M+Na-2H]- 281.09241 160.6
[M]+ 260.11719 168.7
[M]- 260.11829 168.7
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