CID 86661

18126-38-0

Structural Information

Molecular Formula
C11H16O
SMILES
CC(C=C)C1C=CCCC1C=O
InChI
InChI=1S/C11H16O/c1-3-9(2)11-7-5-4-6-10(11)8-12/h3,5,7-11H,1,4,6H2,2H3
InChIKey
FZOJSMSNVKNZQH-UHFFFAOYSA-N
Compound name
2-but-3-en-2-ylcyclohex-3-ene-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

164.12012 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.12740 136.6
[M+Na]+ 187.10934 142.3
[M-H]- 163.11284 139.6
[M+NH4]+ 182.15394 157.3
[M+K]+ 203.08328 140.3
[M+H-H2O]+ 147.11738 131.2
[M+HCOO]- 209.11832 157.2
[M+CH3COO]- 223.13397 180.3
[M+Na-2H]- 185.09479 139.9
[M]+ 164.11957 134.1
[M]- 164.12067 134.1
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

No patent data available for this compound.