CID 63936067

2-methoxy-1-(oxan-4-yl)ethan-1-one

Structural Information

Molecular Formula
C8H14O3
SMILES
COCC(=O)C1CCOCC1
InChI
InChI=1S/C8H14O3/c1-10-6-8(9)7-2-4-11-5-3-7/h7H,2-6H2,1H3
InChIKey
YUPGISRNEYYNMT-UHFFFAOYSA-N
Compound name
2-methoxy-1-(oxan-4-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
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 133.2
[M+Na]+ 181.08352 137.9
[M-H]- 157.08702 136.6
[M+NH4]+ 176.12812 152.4
[M+K]+ 197.05746 139.3
[M+H-H2O]+ 141.09156 127.5
[M+HCOO]- 203.09250 152.7
[M+CH3COO]- 217.10815 175.4
[M+Na-2H]- 179.06897 138.8
[M]+ 158.09375 132.1
[M]- 158.09485 132.1
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

patents stripe