CID 5464156

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

3370
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

literature stripe

Patent stripe

patents stripe