CID 3085477

3-cyclohexene-1-methanol, 4,6-dimethyl-alpha-2-propenyl-

Structural Information

Molecular Formula
C12H20O
SMILES
C[C@@H]1CC(=CC[C@H]1[C@@H](CC=C)O)C
InChI
InChI=1S/C12H20O/c1-4-5-12(13)11-7-6-9(2)8-10(11)3/h4,6,10-13H,1,5,7-8H2,2-3H3/t10-,11-,12-/m1/s1
InChIKey
VFWGQSZDFUOMQP-IJLUTSLNSA-N
Compound name
(1R)-1-[(1R,6R)-4,6-dimethylcyclohex-3-en-1-yl]but-3-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.15141 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.158686 142.7
[M+Na]+ 203.140628 148.3
[M-H]- 179.144134 144.5
[M+NH4]+ 198.185233 162.5
[M+K]+ 219.114568 145.7
[M+H-H2O]+ 163.148670 137.6
[M+HCOO]- 225.149611 161.3
[M+CH3COO]- 239.165261 182.8
[M+Na-2H]- 201.126076 144.3
[M]+ 180.15086142 139.8
[M]- 180.15195858 139.8
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.