CID 6434275

Isodihydrolavandulol

Structural Information

Molecular Formula
C10H20O
SMILES
CC(C)C/C=C(/CO)\C(C)C
InChI
InChI=1S/C10H20O/c1-8(2)5-6-10(7-11)9(3)4/h6,8-9,11H,5,7H2,1-4H3/b10-6-
InChIKey
VUGJPGPMYGKRPW-POHAHGRESA-N
Compound name
(E)-5-methyl-2-propan-2-ylhex-2-en-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

273
Patents

156.15141 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.15869 139.7
[M+Na]+ 179.14063 148.5
[M+NH4]+ 174.18523 147.0
[M+K]+ 195.11457 143.8
[M-H]- 155.14413 138.4
[M+Na-2H]- 177.12608 141.5
[M]+ 156.15086 140.3
[M]- 156.15196 140.3
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

patents stripe