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]+ 157.122316 131.2
[M+Na]+ 179.104258 138.5
[M-H]- 155.107764 135.4
[M+NH4]+ 174.148863 148.4
[M+K]+ 195.078198 140.9
[M+H-H2O]+ 139.112300 123.1
[M+HCOO]- 201.113241 153.1
[M+CH3COO]- 215.128891 182.6
[M+Na-2H]- 177.089706 136.6
[M]+ 156.11449142 142.6
[M]- 156.11558858 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.