CID 71332574

Dtxsid001103605

Structural Information

Molecular Formula
C15H22O4
SMILES
CC12CCC3(CO1)C4(CC5CC4(OC3(C2)O5)CO)C
InChI
InChI=1S/C15H22O4/c1-11-3-4-13(9-17-11)12(2)5-10-6-14(12,8-16)19-15(13,7-11)18-10/h10,16H,3-9H2,1-2H3
InChIKey
RGGZJNLZRGIMHQ-UHFFFAOYSA-N
Compound name
(2,10-dimethyl-7,11,15-trioxapentacyclo[8.2.2.14,8.01,8.02,6]pentadecan-6-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.1518 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.15908 167.3
[M+Na]+ 289.14102 173.1
[M+NH4]+ 284.18562 184.4
[M+K]+ 305.11496 162.7
[M-H]- 265.14452 166.4
[M+Na-2H]- 287.12647 161.3
[M]+ 266.15125 168.7
[M]- 266.15235 168.7
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.