CID 389110

Diisopropyl (1-hydroxy-1-methylethyl)phosphonate

Structural Information

Molecular Formula
C9H21O4P
SMILES
CC(C)OP(=O)(C(C)(C)O)OC(C)C
InChI
InChI=1S/C9H21O4P/c1-7(2)12-14(11,9(5,6)10)13-8(3)4/h7-8,10H,1-6H3
InChIKey
RNKXVPYDSTZDJD-UHFFFAOYSA-N
Compound name
2-di(propan-2-yloxy)phosphorylpropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.11775 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.12503 154.8
[M+Na]+ 247.10697 160.5
[M-H]- 223.11047 152.6
[M+NH4]+ 242.15157 173.2
[M+K]+ 263.08091 161.6
[M+H-H2O]+ 207.11501 148.7
[M+HCOO]- 269.11595 177.4
[M+CH3COO]- 283.13160 190.1
[M+Na-2H]- 245.09242 156.0
[M]+ 224.11720 159.9
[M]- 224.11830 159.9
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.