CID 12309961

(3beta,6beta)-furanoeremophilane-3,6-diol

Structural Information

Molecular Formula
C15H22O3
SMILES
CC1C(CCC2C1(C(C3=C(C2)OC=C3C)O)C)O
InChI
InChI=1S/C15H22O3/c1-8-7-18-12-6-10-4-5-11(16)9(2)15(10,3)14(17)13(8)12/h7,9-11,14,16-17H,4-6H2,1-3H3
InChIKey
JWKRZHJQYDUUNQ-UHFFFAOYSA-N
Compound name
3,4a,5-trimethyl-5,6,7,8,8a,9-hexahydro-4H-benzo[f][1]benzofuran-4,6-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

250.15689 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.164166 157.3
[M+Na]+ 273.146108 165.5
[M-H]- 249.149614 160.8
[M+NH4]+ 268.190713 178.6
[M+K]+ 289.120048 162.4
[M+H-H2O]+ 233.154150 153.3
[M+HCOO]- 295.155091 170.9
[M+CH3COO]- 309.170741 192.6
[M+Na-2H]- 271.131556 159.9
[M]+ 250.15634142 155.5
[M]- 250.15743858 155.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe