CID 66367012

2,2-diethyl-3-methoxycyclobutan-1-one

Structural Information

Molecular Formula
C9H16O2
SMILES
CCC1(C(CC1=O)OC)CC
InChI
InChI=1S/C9H16O2/c1-4-9(5-2)7(10)6-8(9)11-3/h8H,4-6H2,1-3H3
InChIKey
ZKVKBFLJQRIBKD-UHFFFAOYSA-N
Compound name
2,2-diethyl-3-methoxycyclobutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

156.11504 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.12232 131.2
[M+Na]+ 179.10426 138.5
[M-H]- 155.10776 135.4
[M+NH4]+ 174.14886 148.4
[M+K]+ 195.07820 140.9
[M+H-H2O]+ 139.11230 123.1
[M+HCOO]- 201.11324 153.1
[M+CH3COO]- 215.12889 182.6
[M+Na-2H]- 177.08971 136.6
[M]+ 156.11449 142.6
[M]- 156.11559 142.6
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.