CID 139026317

4-ethenyloxane-4-carbaldehyde

Structural Information

Molecular Formula
C8H12O2
SMILES
C=CC1(CCOCC1)C=O
InChI
InChI=1S/C8H12O2/c1-2-8(7-9)3-5-10-6-4-8/h2,7H,1,3-6H2
InChIKey
PZUMXBICJQKMJC-UHFFFAOYSA-N
Compound name
4-ethenyloxane-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

140.08372 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.090996 127.6
[M+Na]+ 163.072938 133.8
[M-H]- 139.076444 131.4
[M+NH4]+ 158.117543 149.6
[M+K]+ 179.046878 134.0
[M+H-H2O]+ 123.080980 123.0
[M+HCOO]- 185.081921 148.1
[M+CH3COO]- 199.097571 171.2
[M+Na-2H]- 161.058386 135.6
[M]+ 140.08317142 125.3
[M]- 140.08426858 125.3
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.