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]+ 149.03639 125.7
[M+Na]+ 171.01833 133.2
[M-H]- 147.02183 129.6
[M+NH4]+ 166.06293 148.3
[M+K]+ 186.99227 132.4
[M+H-H2O]+ 131.02637 122.2
[M+HCOO]- 193.02731 142.1
[M+CH3COO]- 207.04296 169.9
[M+Na-2H]- 169.00378 134.3
[M]+ 148.02856 125.2
[M]- 148.02966 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.