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 157.0
[M+Na]+ 255.17193 161.9
[M-H]- 231.17543 159.5
[M+NH4]+ 250.21653 176.9
[M+K]+ 271.14587 158.2
[M+H-H2O]+ 215.17997 151.6
[M+HCOO]- 277.18091 176.2
[M+CH3COO]- 291.19656 193.5
[M+Na-2H]- 253.15738 158.8
[M]+ 232.18216 155.9
[M]- 232.18326 155.9
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