CID 10878576

(4as,8ar)-6,9,9-trimethyl-4a,7,8,8a-tetrahydro-4h-benzo[f][1]benzofuran

Structural Information

Molecular Formula
C15H20O
SMILES
CC1=C[C@@H]2CC3=C(C([C@@H]2CC1)(C)C)OC=C3
InChI
InChI=1S/C15H20O/c1-10-4-5-13-12(8-10)9-11-6-7-16-14(11)15(13,2)3/h6-8,12-13H,4-5,9H2,1-3H3/t12-,13-/m1/s1
InChIKey
DIPYJSWOBDKTRL-CHWSQXEVSA-N
Compound name
(4aS,8aR)-6,9,9-trimethyl-4a,7,8,8a-tetrahydro-4H-benzo[f][1]benzofuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.15141 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.15869 149.1
[M+Na]+ 239.14063 157.7
[M-H]- 215.14413 155.1
[M+NH4]+ 234.18523 172.9
[M+K]+ 255.11457 154.8
[M+H-H2O]+ 199.14867 144.0
[M+HCOO]- 261.14961 167.1
[M+CH3COO]- 275.16526 162.4
[M+Na-2H]- 237.12608 154.3
[M]+ 216.15086 148.5
[M]- 216.15196 148.5
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

No patent data available for this compound.