CID 42608143

Chebi:137841

Structural Information

Molecular Formula
C15H18O
SMILES
C[C@H]1CCCC2=C1C3=C(C=C2C)OC=C3C
InChI
InChI=1S/C15H18O/c1-9-5-4-6-12-10(2)7-13-15(14(9)12)11(3)8-16-13/h7-9H,4-6H2,1-3H3/t9-/m0/s1
InChIKey
QUNSESJRLJEVEV-VIFPVBQESA-N
Compound name
(9S)-1,5,9-trimethyl-6,7,8,9-tetrahydrobenzo[e][1]benzofuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

214.13577 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.14305 146.6
[M+Na]+ 237.12499 157.2
[M-H]- 213.12849 153.5
[M+NH4]+ 232.16959 169.0
[M+K]+ 253.09893 154.0
[M+H-H2O]+ 197.13303 141.5
[M+HCOO]- 259.13397 167.6
[M+CH3COO]- 273.14962 161.0
[M+Na-2H]- 235.11044 152.2
[M]+ 214.13522 149.1
[M]- 214.13632 149.1
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

patents stripe