CID 3017430

4-vinylcyclohexene-1,4-dicarbaldehyde

Structural Information

Molecular Formula
C10H12O2
SMILES
C=CC1(CCC(=CC1)C=O)C=O
InChI
InChI=1S/C10H12O2/c1-2-10(8-12)5-3-9(7-11)4-6-10/h2-3,7-8H,1,4-6H2
InChIKey
DMZMZBUQFDOHPN-UHFFFAOYSA-N
Compound name
4-ethenylcyclohexene-1,4-dicarbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

164.08372 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.090996 132.7
[M+Na]+ 187.072938 140.3
[M-H]- 163.076444 136.2
[M+NH4]+ 182.117543 155.3
[M+K]+ 203.046878 138.2
[M+H-H2O]+ 147.080980 128.1
[M+HCOO]- 209.081921 155.1
[M+CH3COO]- 223.097571 177.1
[M+Na-2H]- 185.058386 139.1
[M]+ 164.08317142 131.6
[M]- 164.08426858 131.6
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