CID 15241136

(-)-heliannuol a

Structural Information

Molecular Formula
C15H22O3
SMILES
CC1CCC(C(OC2=C1C=C(C(=C2)C)O)(C)C)O
InChI
InChI=1S/C15H22O3/c1-9-5-6-14(17)15(3,4)18-13-7-10(2)12(16)8-11(9)13/h7-9,14,16-17H,5-6H2,1-4H3
InChIKey
FWVBSUZWRAYTJB-UHFFFAOYSA-N
Compound name
2,2,6,9-tetramethyl-3,4,5,6-tetrahydro-1-benzoxocine-3,8-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

250.15689 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.16417 166.7
[M+Na]+ 273.14611 172.3
[M-H]- 249.14961 168.3
[M+NH4]+ 268.19071 175.1
[M+K]+ 289.12005 172.1
[M+H-H2O]+ 233.15415 163.3
[M+HCOO]- 295.15509 173.4
[M+CH3COO]- 309.17074 226.8
[M+Na-2H]- 271.13156 165.5
[M]+ 250.15634 166.5
[M]- 250.15744 166.5
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.