CID 11344070

3-(2-hydroxyethyl)-2,2-dimethylcyclobutan-1-one

Structural Information

Molecular Formula
C8H14O2
SMILES
CC1(C(CC1=O)CCO)C
InChI
InChI=1S/C8H14O2/c1-8(2)6(3-4-9)5-7(8)10/h6,9H,3-5H2,1-2H3
InChIKey
ZICFUCFBRFBRDM-UHFFFAOYSA-N
Compound name
3-(2-hydroxyethyl)-2,2-dimethylcyclobutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

142.09938 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.106656 128.6
[M+Na]+ 165.088598 135.9
[M-H]- 141.092104 131.6
[M+NH4]+ 160.133203 145.6
[M+K]+ 181.062538 137.5
[M+H-H2O]+ 125.096640 120.8
[M+HCOO]- 187.097581 149.2
[M+CH3COO]- 201.113231 177.0
[M+Na-2H]- 163.074046 133.8
[M]+ 142.09883142 137.8
[M]- 142.09992858 137.8
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.