CID 14109856

8-hydroxy-4(6)-lactarene-5,14-diol

Structural Information

Molecular Formula
C15H26O3
SMILES
CC1C=C(C(C(C2C1CC(C2)(C)C)O)CO)CO
InChI
InChI=1S/C15H26O3/c1-9-4-10(7-16)13(8-17)14(18)12-6-15(2,3)5-11(9)12/h4,9,11-14,16-18H,5-8H2,1-3H3
InChIKey
UMXJEXAFNWMBJX-UHFFFAOYSA-N
Compound name
5,6-bis(hydroxymethyl)-2,2,8-trimethyl-3,3a,4,5,8,8a-hexahydro-1H-azulen-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.1882 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.19548 154.0
[M+Na]+ 277.17742 160.9
[M+NH4]+ 272.22202 161.8
[M+K]+ 293.15136 157.8
[M-H]- 253.18092 153.8
[M+Na-2H]- 275.16287 155.9
[M]+ 254.18765 154.8
[M]- 254.18875 154.8
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.