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]+ 255.195476 157.6
[M+Na]+ 277.177418 162.9
[M-H]- 253.180924 159.5
[M+NH4]+ 272.222023 177.0
[M+K]+ 293.151358 162.5
[M+H-H2O]+ 237.185460 154.5
[M+HCOO]- 299.186401 171.8
[M+CH3COO]- 313.202051 193.1
[M+Na-2H]- 275.162866 157.1
[M]+ 254.18765142 152.7
[M]- 254.18874858 152.7
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.