CID 15659327

(5r)-5-(but-2-en-2-yl)-2-methylcyclohex-2-en-1-one

Structural Information

Molecular Formula
C11H16O
SMILES
C/C=C(\C)/[C@@H]1CC=C(C(=O)C1)C
InChI
InChI=1S/C11H16O/c1-4-8(2)10-6-5-9(3)11(12)7-10/h4-5,10H,6-7H2,1-3H3/b8-4+/t10-/m1/s1
InChIKey
ROCUJSLECZXKKU-VMKBVTSJSA-N
Compound name
(5R)-5-[(E)-but-2-en-2-yl]-2-methylcyclohex-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

164.12012 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.12740 137.6
[M+Na]+ 187.10934 149.5
[M+NH4]+ 182.15394 146.3
[M+K]+ 203.08328 142.8
[M-H]- 163.11284 139.6
[M+Na-2H]- 185.09479 142.7
[M]+ 164.11957 139.7
[M]- 164.12067 139.7
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.