CID 10846395

(+/-)-mutisianthol

Structural Information

Molecular Formula
C15H20O
SMILES
C[C@H]1C[C@@H](C2=C1C=C(C(=C2)C)O)C=C(C)C
InChI
InChI=1S/C15H20O/c1-9(2)5-12-6-10(3)13-8-15(16)11(4)7-14(12)13/h5,7-8,10,12,16H,6H2,1-4H3/t10-,12-/m0/s1
InChIKey
SVNPNOPENVFTBB-JQWIXIFHSA-N
Compound name
(1R,3S)-3,6-dimethyl-1-(2-methylprop-1-enyl)-2,3-dihydro-1H-inden-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.15141 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.15869 151.0
[M+Na]+ 239.14063 159.6
[M-H]- 215.14413 154.6
[M+NH4]+ 234.18523 172.8
[M+K]+ 255.11457 155.3
[M+H-H2O]+ 199.14867 146.4
[M+HCOO]- 261.14961 170.7
[M+CH3COO]- 275.16526 190.5
[M+Na-2H]- 237.12608 151.4
[M]+ 216.15086 150.8
[M]- 216.15196 150.8
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.