CID 5464156

(r)-lavandulol

Structural Information

Molecular Formula
C10H18O
SMILES
CC(=CC[C@@H](CO)C(=C)C)C
InChI
InChI=1S/C10H18O/c1-8(2)5-6-10(7-11)9(3)4/h5,10-11H,3,6-7H2,1-2,4H3/t10-/m0/s1
InChIKey
CZVXBFUKBZRMKR-JTQLQIEISA-N
Compound name
(2R)-5-methyl-2-prop-1-en-2-ylhex-4-en-1-ol
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

29
References

3377
Patents

154.13577 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.143046 138.7
[M+Na]+ 177.124988 143.9
[M-H]- 153.128494 137.3
[M+NH4]+ 172.169593 159.2
[M+K]+ 193.098928 142.4
[M+H-H2O]+ 137.133030 134.3
[M+HCOO]- 199.133971 157.4
[M+CH3COO]- 213.149621 178.7
[M+Na-2H]- 175.110436 139.4
[M]+ 154.13522142 137.6
[M]- 154.13631858 137.6
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.