CID 57725188

1-(3,3-dimethoxycyclobutyl)ethan-1-one

Structural Information

Molecular Formula
C8H14O3
SMILES
CC(=O)C1CC(C1)(OC)OC
InChI
InChI=1S/C8H14O3/c1-6(9)7-4-8(5-7,10-2)11-3/h7H,4-5H2,1-3H3
InChIKey
RYTGCGUCXZPNJE-UHFFFAOYSA-N
Compound name
1-(3,3-dimethoxycyclobutyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
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 131.5
[M+Na]+ 181.08352 137.8
[M-H]- 157.08702 135.5
[M+NH4]+ 176.12812 148.1
[M+K]+ 197.05746 141.4
[M+H-H2O]+ 141.09156 123.0
[M+HCOO]- 203.09250 152.8
[M+CH3COO]- 217.10815 181.3
[M+Na-2H]- 179.06897 136.7
[M]+ 158.09375 142.9
[M]- 158.09485 142.9
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

patents stripe