CID 89738936

Dtxsid201021053

Structural Information

Molecular Formula
C13H22O
SMILES
CC(C/C(=C/C1CCCCC1)/C)C=O
InChI
InChI=1S/C13H22O/c1-11(8-12(2)10-14)9-13-6-4-3-5-7-13/h9-10,12-13H,3-8H2,1-2H3/b11-9+
InChIKey
MHWUIEVFBRHXMA-PKNBQFBNSA-N
Compound name
(E)-5-cyclohexyl-2,4-dimethylpent-4-enal
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

9
Patents

194.16707 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.174346 149.1
[M+Na]+ 217.156288 151.9
[M-H]- 193.159794 151.1
[M+NH4]+ 212.200893 168.2
[M+K]+ 233.130228 149.9
[M+H-H2O]+ 177.164330 143.2
[M+HCOO]- 239.165271 166.6
[M+CH3COO]- 253.180921 185.9
[M+Na-2H]- 215.141736 149.7
[M]+ 194.16652142 144.8
[M]- 194.16761858 144.8
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