CID 106683

66310-72-3

Structural Information

Molecular Formula
C16H24O
SMILES
CC(=CCCC1=CCC(CC1)(CC=C)C=O)C
InChI
InChI=1S/C16H24O/c1-4-10-16(13-17)11-8-15(9-12-16)7-5-6-14(2)3/h4,6,8,13H,1,5,7,9-12H2,2-3H3
InChIKey
YITNGWUNAUULCK-UHFFFAOYSA-N
Compound name
4-(4-methylpent-3-enyl)-1-prop-2-enylcyclohex-3-ene-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

232.18271 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.18999 159.7
[M+Na]+ 255.17193 170.3
[M+NH4]+ 250.21653 168.7
[M+K]+ 271.14587 160.5
[M-H]- 231.17543 161.2
[M+Na-2H]- 253.15738 165.1
[M]+ 232.18216 161.6
[M]- 232.18326 161.6
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