CID 171121099

Selina-4(14),7,11-trien-9-ol

Structural Information

Molecular Formula
C15H22O
SMILES
CC(=C)C1=C[C@H]([C@]2(CCCC(=C)[C@@H]2C1)C)O
InChI
InChI=1S/C15H22O/c1-10(2)12-8-13-11(3)6-5-7-15(13,4)14(16)9-12/h9,13-14,16H,1,3,5-8H2,2,4H3/t13-,14+,15-/m0/s1
InChIKey
KRNXIPWHTVMPKI-ZNMIVQPWSA-N
Compound name
(1R,4aS,8aS)-8a-methyl-5-methylidene-3-prop-1-en-2-yl-1,4,4a,6,7,8-hexahydronaphthalen-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.16707 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.17435 151.2
[M+Na]+ 241.15629 157.1
[M-H]- 217.15979 153.7
[M+NH4]+ 236.20089 172.4
[M+K]+ 257.13023 152.9
[M+H-H2O]+ 201.16433 146.5
[M+HCOO]- 263.16527 165.9
[M+CH3COO]- 277.18092 189.9
[M+Na-2H]- 239.14174 152.9
[M]+ 218.16652 145.2
[M]- 218.16762 145.2
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

No patent data available for this compound.