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]+ 181.15869 142.7
[M+Na]+ 203.14063 148.3
[M-H]- 179.14413 144.5
[M+NH4]+ 198.18523 162.5
[M+K]+ 219.11457 145.7
[M+H-H2O]+ 163.14867 137.6
[M+HCOO]- 225.14961 161.3
[M+CH3COO]- 239.16526 182.8
[M+Na-2H]- 201.12608 144.3
[M]+ 180.15086 139.8
[M]- 180.15196 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.