CID 11137481

(5s)-2,3-dimethyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-one

Structural Information

Molecular Formula
C11H16O
SMILES
CC1=C(C(=O)C[C@H](C1)C(=C)C)C
InChI
InChI=1S/C11H16O/c1-7(2)10-5-8(3)9(4)11(12)6-10/h10H,1,5-6H2,2-4H3/t10-/m0/s1
InChIKey
CNIGYRRBFLTZNO-JTQLQIEISA-N
Compound name
(5S)-2,3-dimethyl-5-prop-1-en-2-ylcyclohex-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

164.12012 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.127396 134.1
[M+Na]+ 187.109338 141.9
[M-H]- 163.112844 138.0
[M+NH4]+ 182.153943 155.5
[M+K]+ 203.083278 139.9
[M+H-H2O]+ 147.117380 129.4
[M+HCOO]- 209.118321 154.8
[M+CH3COO]- 223.133971 182.7
[M+Na-2H]- 185.094786 136.3
[M]+ 164.11957142 132.5
[M]- 164.12066858 132.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.