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 147.4
[M+Na]+ 289.14102 151.6
[M-H]- 265.14452 143.7
[M+NH4]+ 284.18562 177.2
[M+K]+ 305.11496 148.4
[M+H-H2O]+ 249.14906 137.2
[M+HCOO]- 311.15000 145.0
[M+CH3COO]- 325.16565 155.4
[M+Na-2H]- 287.12647 159.0
[M]+ 266.15125 153.6
[M]- 266.15235 153.6
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

patents stripe