CID 6437247

Methyl sandeflor

Structural Information

Molecular Formula
C14H22O
SMILES
CCC(/C(=C/C1(CC2CC1C=C2)C)/C)O
InChI
InChI=1S/C14H22O/c1-4-13(15)10(2)8-14(3)9-11-5-6-12(14)7-11/h5-6,8,11-13,15H,4,7,9H2,1-3H3/b10-8+
InChIKey
RZXAQFGBENAOAJ-CSKARUKUSA-N
Compound name
(E)-2-methyl-1-(2-methyl-2-bicyclo[2.2.1]hept-5-enyl)pent-1-en-3-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

37
Patents

206.16707 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.17435 151.9
[M+Na]+ 229.15629 159.6
[M+NH4]+ 224.20089 161.9
[M+K]+ 245.13023 155.5
[M-H]- 205.15979 151.5
[M+Na-2H]- 227.14174 153.5
[M]+ 206.16652 152.7
[M]- 206.16762 152.7
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