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 135.6
[M+Na]+ 187.10934 142.5
[M-H]- 163.11284 139.1
[M+NH4]+ 182.15394 156.7
[M+K]+ 203.08328 140.4
[M+H-H2O]+ 147.11738 130.6
[M+HCOO]- 209.11832 156.3
[M+CH3COO]- 223.13397 180.8
[M+Na-2H]- 185.09479 138.4
[M]+ 164.11957 133.5
[M]- 164.12067 133.5
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.