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]+ 165.12740 134.1
[M+Na]+ 187.10934 141.9
[M-H]- 163.11284 138.0
[M+NH4]+ 182.15394 155.5
[M+K]+ 203.08328 139.9
[M+H-H2O]+ 147.11738 129.4
[M+HCOO]- 209.11832 154.8
[M+CH3COO]- 223.13397 182.7
[M+Na-2H]- 185.09479 136.3
[M]+ 164.11957 132.5
[M]- 164.12067 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.