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]+ 141.09100 127.6
[M+Na]+ 163.07294 133.8
[M-H]- 139.07644 131.4
[M+NH4]+ 158.11754 149.6
[M+K]+ 179.04688 134.0
[M+H-H2O]+ 123.08098 123.0
[M+HCOO]- 185.08192 148.1
[M+CH3COO]- 199.09757 171.2
[M+Na-2H]- 161.05839 135.6
[M]+ 140.08317 125.3
[M]- 140.08427 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.