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
2
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]+ 165.127396 136.6
[M+Na]+ 187.109338 142.3
[M-H]- 163.112844 139.6
[M+NH4]+ 182.153943 157.3
[M+K]+ 203.083278 140.3
[M+H-H2O]+ 147.117380 131.2
[M+HCOO]- 209.118321 157.2
[M+CH3COO]- 223.133971 180.3
[M+Na-2H]- 185.094786 139.9
[M]+ 164.11957142 134.1
[M]- 164.12066858 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.