CID 130026548

4-chlorooxane-4-carbaldehyde

Structural Information

Molecular Formula
C6H9ClO2
SMILES
C1COCCC1(C=O)Cl
InChI
InChI=1S/C6H9ClO2/c7-6(5-8)1-3-9-4-2-6/h5H,1-4H2
InChIKey
GVZIRYUOWUNGCH-UHFFFAOYSA-N
Compound name
4-chlorooxane-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

148.02911 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.036386 125.7
[M+Na]+ 171.018328 133.2
[M-H]- 147.021834 129.6
[M+NH4]+ 166.062933 148.3
[M+K]+ 186.992268 132.4
[M+H-H2O]+ 131.026370 122.2
[M+HCOO]- 193.027311 142.1
[M+CH3COO]- 207.042961 169.9
[M+Na-2H]- 169.003776 134.3
[M]+ 148.02856142 125.2
[M]- 148.02965858 125.2
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.