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

2
Patents

382.131 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.13828 183.3
[M+Na]+ 405.12022 188.2
[M+NH4]+ 400.16482 189.1
[M+K]+ 421.09416 183.7
[M-H]- 381.12372 179.2
[M+Na-2H]- 403.10567 184.6
[M]+ 382.13045 182.5
[M]- 382.13155 182.5
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

patents stripe