CID 5280322

{[(6e)-3,7,11-trimethyldodeca-6,10-dien-1-yl]oxy}phosphonic acid

Structural Information

Molecular Formula
C15H29O4P
SMILES
CC(CC/C=C(\C)/CCC=C(C)C)CCOP(=O)(O)O
InChI
InChI=1S/C15H29O4P/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-19-20(16,17)18/h7,9,15H,5-6,8,10-12H2,1-4H3,(H2,16,17,18)/b14-9+
InChIKey
DZHSRPJGCZHWOM-NTEUORMPSA-N
Compound name
[(6E)-3,7,11-trimethyldodeca-6,10-dienyl] dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

1
Patents

304.18036 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.18764 181.9
[M+Na]+ 327.16958 184.8
[M-H]- 303.17308 177.0
[M+NH4]+ 322.21418 196.1
[M+K]+ 343.14352 182.2
[M+H-H2O]+ 287.17762 174.5
[M+HCOO]- 349.17856 201.9
[M+CH3COO]- 363.19421 202.7
[M+Na-2H]- 325.15503 176.9
[M]+ 304.17981 185.5
[M]- 304.18091 185.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe