CID 91699505

Valerenol

Structural Information

Molecular Formula
C15H24O
SMILES
CC1CCC(C2=C(CCC12)C)/C=C(\C)/CO
InChI
InChI=1S/C15H24O/c1-10(9-16)8-13-6-4-11(2)14-7-5-12(3)15(13)14/h8,11,13-14,16H,4-7,9H2,1-3H3/b10-8+
InChIKey
KIQXKOUFPHTUQS-CSKARUKUSA-N
Compound name
(E)-3-(3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl)-2-methylprop-2-en-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

220.18271 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.18999 154.4
[M+Na]+ 243.17193 164.2
[M+NH4]+ 238.21653 163.3
[M+K]+ 259.14587 159.2
[M-H]- 219.17543 156.0
[M+Na-2H]- 241.15738 156.3
[M]+ 220.18216 156.1
[M]- 220.18326 156.1
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.