CID 42608163

6-valerene-11-ol

Structural Information

Molecular Formula
C15H26O
SMILES
C[C@H]1CC[C@H]2[C@@H]1/C(=C/C(C)(C)O)/CC[C@@H]2C
InChI
InChI=1S/C15H26O/c1-10-5-7-12(9-15(3,4)16)14-11(2)6-8-13(10)14/h9-11,13-14,16H,5-8H2,1-4H3/b12-9+/t10-,11-,13+,14-/m0/s1
InChIKey
IYMKPZYUEJPWPC-ULKFAFIRSA-N
Compound name
(1E)-1-[(3S,3aR,7S,7aR)-3,7-dimethyl-1,2,3,3a,5,6,7,7a-octahydroinden-4-ylidene]-2-methylpropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.19836 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.20564 156.7
[M+Na]+ 245.18758 162.0
[M-H]- 221.19108 158.9
[M+NH4]+ 240.23218 177.9
[M+K]+ 261.16152 158.2
[M+H-H2O]+ 205.19562 152.6
[M+HCOO]- 267.19656 171.3
[M+CH3COO]- 281.21221 190.0
[M+Na-2H]- 243.17303 156.9
[M]+ 222.19781 152.0
[M]- 222.19891 152.0
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.