CID 54594613

2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-one

Structural Information

Molecular Formula
C10H18O2
SMILES
CC(C)COC1CC(=O)C1(C)C
InChI
InChI=1S/C10H18O2/c1-7(2)6-12-9-5-8(11)10(9,3)4/h7,9H,5-6H2,1-4H3
InChIKey
XWHNGZJGGCPHFF-UHFFFAOYSA-N
Compound name
2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.13068 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.137956 137.5
[M+Na]+ 193.119898 144.0
[M-H]- 169.123404 141.5
[M+NH4]+ 188.164503 153.9
[M+K]+ 209.093838 146.6
[M+H-H2O]+ 153.127940 129.2
[M+HCOO]- 215.128881 157.9
[M+CH3COO]- 229.144531 186.3
[M+Na-2H]- 191.105346 140.9
[M]+ 170.13013142 148.5
[M]- 170.13122858 148.5
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