CID 274442

3-hydroxy-2,2,4,4-tetramethylcyclobutan-1-one

Structural Information

Molecular Formula
C8H14O2
SMILES
CC1(C(C(C1=O)(C)C)O)C
InChI
InChI=1S/C8H14O2/c1-7(2)5(9)8(3,4)6(7)10/h5,9H,1-4H3
InChIKey
QAUUZRBVXXQTJZ-UHFFFAOYSA-N
Compound name
3-hydroxy-2,2,4,4-tetramethylcyclobutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

142.09938 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.10666 130.0
[M+Na]+ 165.08860 136.7
[M+NH4]+ 160.13320 136.8
[M+K]+ 181.06254 130.4
[M-H]- 141.09210 127.9
[M+Na-2H]- 163.07405 134.3
[M]+ 142.09883 129.4
[M]- 142.09993 129.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe