CID 146170870

Drimanyl pyrophosphate

Structural Information

Molecular Formula
C15H28O7P2
SMILES
CC1=CC[C@@H]2[C@@]([C@H]1COP(=O)(O)OP(=O)(O)O)(CCCC2(C)C)C
InChI
InChI=1S/C15H28O7P2/c1-11-6-7-13-14(2,3)8-5-9-15(13,4)12(11)10-21-24(19,20)22-23(16,17)18/h6,12-13H,5,7-10H2,1-4H3,(H,19,20)(H2,16,17,18)/t12-,13-,15+/m0/s1
InChIKey
SSOUWUHBWJPFIP-KCQAQPDRSA-N
Compound name
[(1S,4aS,8aS)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methyl phosphono hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

382.131 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.138276 188.1
[M+Na]+ 405.120218 192.7
[M-H]- 381.123724 185.3
[M+NH4]+ 400.164823 203.8
[M+K]+ 421.094158 192.1
[M+H-H2O]+ 365.128260 180.3
[M+HCOO]- 427.129201 208.4
[M+CH3COO]- 441.144851 212.4
[M+Na-2H]- 403.105666 190.3
[M]+ 382.13045142 190.0
[M]- 382.13154858 190.0
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.