CID 3072

Refchem:920277

Structural Information

Molecular Formula
C6H15O3P
SMILES
CC(C)OP(=O)OC(C)C
InChI
InChI=1S/C6H15O3P/c1-5(2)8-10(7)9-6(3)4/h5-6,10H,1-4H3
InChIKey
BLKXLEPPVDUHBY-UHFFFAOYSA-N
Compound name
2-propan-2-yloxyphosphonoyloxypropane
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

3
References

0
Patents

166.07588 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.08316 138.1
[M+Na]+ 189.06510 144.5
[M-H]- 165.06860 137.4
[M+NH4]+ 184.10970 159.3
[M+K]+ 205.03904 146.2
[M+H-H2O]+ 149.07314 131.2
[M+HCOO]- 211.07408 165.0
[M+CH3COO]- 225.08973 181.8
[M+Na-2H]- 187.05055 137.7
[M]+ 166.07533 142.9
[M]- 166.07643 142.9
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.