CID 97539

32674-72-9

Structural Information

Molecular Formula
C11H21O5P
SMILES
CC(C)(C(=O)C(C)(C)P(=O)(C)OC)C(=O)OC
InChI
InChI=1S/C11H21O5P/c1-10(2,9(13)15-5)8(12)11(3,4)17(7,14)16-6/h1-7H3
InChIKey
AUQMJOGZCWKRMW-UHFFFAOYSA-N
Compound name
methyl 4-[methoxy(methyl)phosphoryl]-2,2,4-trimethyl-3-oxopentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.11267 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.11995 159.6
[M+Na]+ 287.10189 166.0
[M-H]- 263.10539 159.0
[M+NH4]+ 282.14649 167.1
[M+K]+ 303.07583 167.4
[M+H-H2O]+ 247.10993 153.8
[M+HCOO]- 309.11087 178.0
[M+CH3COO]- 323.12652 198.5
[M+Na-2H]- 285.08734 162.5
[M]+ 264.11212 166.9
[M]- 264.11322 166.9
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.