CID 10357552

(2e,6z)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl dihydrogen phosphate

Structural Information

Molecular Formula
C15H27O4P
SMILES
CC(=CCC/C(=C/CC/C(=C/COP(=O)(O)O)/C)/C)C
InChI
InChI=1S/C15H27O4P/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-19-20(16,17)18/h7,9,11H,5-6,8,10,12H2,1-4H3,(H2,16,17,18)/b14-9+,15-11+
InChIKey
ALEWCKXBHSDCCT-YFVJMOTDSA-N
Compound name
[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

192
Patents

302.1647 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.17198 180.1
[M+Na]+ 325.15392 183.4
[M-H]- 301.15742 175.3
[M+NH4]+ 320.19852 194.5
[M+K]+ 341.12786 180.2
[M+H-H2O]+ 285.16196 172.8
[M+HCOO]- 347.16290 200.4
[M+CH3COO]- 361.17855 201.1
[M+Na-2H]- 323.13937 175.2
[M]+ 302.16415 183.0
[M]- 302.16525 183.0
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