CID 13549667

4-chloro-2,6-dimethyloxane

Structural Information

Molecular Formula
C7H13ClO
SMILES
CC1CC(CC(O1)C)Cl
InChI
InChI=1S/C7H13ClO/c1-5-3-7(8)4-6(2)9-5/h5-7H,3-4H2,1-2H3
InChIKey
DXCQFCUGRWDOJU-UHFFFAOYSA-N
Compound name
4-chloro-2,6-dimethyloxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

148.06549 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.072766 129.0
[M+Na]+ 171.054708 136.8
[M-H]- 147.058214 133.0
[M+NH4]+ 166.099313 150.3
[M+K]+ 187.028648 135.7
[M+H-H2O]+ 131.062750 125.1
[M+HCOO]- 193.063691 144.6
[M+CH3COO]- 207.079341 174.5
[M+Na-2H]- 169.040156 134.5
[M]+ 148.06494142 128.5
[M]- 148.06603858 128.5
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.