CID 81263

Rhodinol

Structural Information

Molecular Formula
C10H20O
SMILES
C[C@@H](CCCC(=C)C)CCO
InChI
InChI=1S/C10H20O/c1-9(2)5-4-6-10(3)7-8-11/h10-11H,1,4-8H2,2-3H3/t10-/m0/s1
InChIKey
JGQFVRIQXUFPAH-JTQLQIEISA-N
Compound name
(3S)-3,7-dimethyloct-7-en-1-ol
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

5
References

39122
Patents

156.15141 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.158686 140.3
[M+Na]+ 179.140628 145.3
[M-H]- 155.144134 138.7
[M+NH4]+ 174.185233 160.7
[M+K]+ 195.114568 143.9
[M+H-H2O]+ 139.148670 135.7
[M+HCOO]- 201.149611 159.7
[M+CH3COO]- 215.165261 179.4
[M+Na-2H]- 177.126076 142.2
[M]+ 156.15086142 140.6
[M]- 156.15195858 140.6
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

patents stripe