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 157.6
[M+Na]+ 277.17742 162.9
[M-H]- 253.18092 159.5
[M+NH4]+ 272.22202 177.0
[M+K]+ 293.15136 162.5
[M+H-H2O]+ 237.18546 154.5
[M+HCOO]- 299.18640 171.8
[M+CH3COO]- 313.20205 193.1
[M+Na-2H]- 275.16287 157.1
[M]+ 254.18765 152.7
[M]- 254.18875 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.