CID 146170845

Drimenol phosphate(2-)

Structural Information

Molecular Formula
C15H27O4P
SMILES
CC1=CC[C@@H]2[C@@]([C@H]1COP(=O)(O)O)(CCCC2(C)C)C
InChI
InChI=1S/C15H27O4P/c1-11-6-7-13-14(2,3)8-5-9-15(13,4)12(11)10-19-20(16,17)18/h6,12-13H,5,7-10H2,1-4H3,(H2,16,17,18)/t12-,13-,15+/m0/s1
InChIKey
SUUFHHSNBZAZJL-KCQAQPDRSA-N
Compound name
[(1S,4aS,8aS)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.1647 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.17198 172.2
[M+Na]+ 325.15392 178.1
[M-H]- 301.15742 172.2
[M+NH4]+ 320.19852 191.9
[M+K]+ 341.12786 175.8
[M+H-H2O]+ 285.16196 166.1
[M+HCOO]- 347.16290 190.1
[M+CH3COO]- 361.17855 200.9
[M+Na-2H]- 323.13937 174.0
[M]+ 302.16415 171.6
[M]- 302.16525 171.6
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.