CID 13009

2,4-dimethyl-1,3-dioxane

Structural Information

Molecular Formula
C6H12O2
SMILES
CC1CCOC(O1)C
InChI
InChI=1S/C6H12O2/c1-5-3-4-7-6(2)8-5/h5-6H,3-4H2,1-2H3
InChIKey
VREPYGYMOSZTKJ-UHFFFAOYSA-N
Compound name
2,4-dimethyl-1,3-dioxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

356
Patents

116.08373 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.09101 121.9
[M+Na]+ 139.07295 128.5
[M-H]- 115.07645 126.6
[M+NH4]+ 134.11755 142.0
[M+K]+ 155.04689 131.0
[M+H-H2O]+ 99.080990 117.1
[M+HCOO]- 161.08193 141.7
[M+CH3COO]- 175.09758 168.5
[M+Na-2H]- 137.05840 130.2
[M]+ 116.08318 120.9
[M]- 116.08428 120.9
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.