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
3
Annotation Hits

0
References

296
Patents

156.15141 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.158686 140.5
[M+Na]+ 179.140628 145.4
[M-H]- 155.144134 139.0
[M+NH4]+ 174.185233 160.9
[M+K]+ 195.114568 144.5
[M+H-H2O]+ 139.148670 136.0
[M+HCOO]- 201.149611 158.9
[M+CH3COO]- 215.165261 179.6
[M+Na-2H]- 177.126076 141.1
[M]+ 156.15086142 140.1
[M]- 156.15195858 140.1
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