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]+ 171.13796 135.0
[M+Na]+ 193.11990 142.7
[M-H]- 169.12340 139.4
[M+NH4]+ 188.16450 151.9
[M+K]+ 209.09384 144.9
[M+H-H2O]+ 153.12794 127.0
[M+HCOO]- 215.12888 156.5
[M+CH3COO]- 229.14453 186.6
[M+Na-2H]- 191.10535 139.2
[M]+ 170.13013 147.1
[M]- 170.13123 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.