CID 71757914

2,2-diethyl-3-methoxy-4-methylcyclobutan-1-one

Structural Information

Molecular Formula
C10H18O2
SMILES
CCC1(C(C(C1=O)C)OC)CC
InChI
InChI=1S/C10H18O2/c1-5-10(6-2)8(11)7(3)9(10)12-4/h7,9H,5-6H2,1-4H3
InChIKey
FMUQKVHIGUGGFP-UHFFFAOYSA-N
Compound name
2,2-diethyl-3-methoxy-4-methylcyclobutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.13068 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.137956 135.0
[M+Na]+ 193.119898 142.7
[M-H]- 169.123404 139.4
[M+NH4]+ 188.164503 151.9
[M+K]+ 209.093838 144.9
[M+H-H2O]+ 153.127940 127.0
[M+HCOO]- 215.128881 156.5
[M+CH3COO]- 229.144531 186.6
[M+Na-2H]- 191.105346 139.2
[M]+ 170.13013142 147.1
[M]- 170.13122858 147.1
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

No patent data available for this compound.