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

286
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

literature stripe

Patent stripe

patents stripe