CID 141005544

2567497-66-7

Structural Information

Molecular Formula
C8H14O3
SMILES
CC(=O)C1C(OCCO1)(C)C
InChI
InChI=1S/C8H14O3/c1-6(9)7-8(2,3)11-5-4-10-7/h7H,4-5H2,1-3H3
InChIKey
JXYRWJPEGHFXQV-UHFFFAOYSA-N
Compound name
1-(3,3-dimethyl-1,4-dioxan-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

158.0943 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.10158 131.4
[M+Na]+ 181.08352 138.2
[M-H]- 157.08702 136.3
[M+NH4]+ 176.12812 151.8
[M+K]+ 197.05746 140.8
[M+H-H2O]+ 141.09156 127.2
[M+HCOO]- 203.09250 150.0
[M+CH3COO]- 217.10815 176.3
[M+Na-2H]- 179.06897 138.7
[M]+ 158.09375 131.7
[M]- 158.09485 131.7
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.