CID 279961

Nsc131277

Structural Information

Molecular Formula
C14H27O5P
SMILES
CCOC(=O)C(C)(C)C(=C(C)C)OP(=O)(CC)OCC
InChI
InChI=1S/C14H27O5P/c1-8-17-13(15)14(6,7)12(11(4)5)19-20(16,10-3)18-9-2/h8-10H2,1-7H3
InChIKey
XMWNPHRMXJAMTR-UHFFFAOYSA-N
Compound name
ethyl 3-[ethoxy(ethyl)phosphoryl]oxy-2,2,4-trimethylpent-3-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.1596 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.16688 175.3
[M+Na]+ 329.14882 179.9
[M-H]- 305.15232 173.9
[M+NH4]+ 324.19342 182.1
[M+K]+ 345.12276 180.5
[M+H-H2O]+ 289.15686 168.4
[M+HCOO]- 351.15780 188.7
[M+CH3COO]- 365.17345 207.2
[M+Na-2H]- 327.13427 173.9
[M]+ 306.15905 183.6
[M]- 306.16015 183.6
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.