CID 361312

Nsc624327

Structural Information

Molecular Formula
C15H28NO3P
SMILES
CC1CCN(P(=O)(O1)CC(=O)C(C)CC=C)C(C)(C)C
InChI
InChI=1S/C15H28NO3P/c1-7-8-12(2)14(17)11-20(18)16(15(4,5)6)10-9-13(3)19-20/h7,12-13H,1,8-11H2,2-6H3
InChIKey
JTSFELVRKVVIDM-UHFFFAOYSA-N
Compound name
1-(3-tert-butyl-6-methyl-2-oxo-1,3,2lambda5-oxazaphosphinan-2-yl)-3-methylhex-5-en-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.1807 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.18798 173.5
[M+Na]+ 324.16992 178.4
[M-H]- 300.17342 174.4
[M+NH4]+ 319.21452 188.9
[M+K]+ 340.14386 178.1
[M+H-H2O]+ 284.17796 165.9
[M+HCOO]- 346.17890 192.5
[M+CH3COO]- 360.19455 206.9
[M+Na-2H]- 322.15537 171.9
[M]+ 301.18015 175.5
[M]- 301.18125 175.5
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.