CID 6450281

Dihydrodamascone

Structural Information

Molecular Formula
C13H22O
SMILES
C/C=C/C(=O)[C@@H]1[C@@H](CCCC1(C)C)C
InChI
InChI=1S/C13H22O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5,7,10,12H,6,8-9H2,1-4H3/b7-5+/t10-,12+/m1/s1
InChIKey
DDDIVAXBYDCLRR-FLPUTOKSSA-N
Compound name
(E)-1-[(1R,6R)-2,2,6-trimethylcyclohexyl]but-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

83
Patents

194.16707 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.174346 145.2
[M+Na]+ 217.156288 151.1
[M-H]- 193.159794 148.4
[M+NH4]+ 212.200893 167.1
[M+K]+ 233.130228 149.1
[M+H-H2O]+ 177.164330 140.8
[M+HCOO]- 239.165271 163.8
[M+CH3COO]- 253.180921 186.8
[M+Na-2H]- 215.141736 147.2
[M]+ 194.16652142 142.7
[M]- 194.16761858 142.7
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

patents stripe