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]+ 267.159076 147.4
[M+Na]+ 289.141018 151.6
[M-H]- 265.144524 143.7
[M+NH4]+ 284.185623 177.2
[M+K]+ 305.114958 148.4
[M+H-H2O]+ 249.149060 137.2
[M+HCOO]- 311.150001 145.0
[M+CH3COO]- 325.165651 155.4
[M+Na-2H]- 287.126466 159.0
[M]+ 266.15125142 153.6
[M]- 266.15234858 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