CID 121208135

3-(2-hydroxypropan-2-yl)cyclobutan-1-one

Structural Information

Molecular Formula
C7H12O2
SMILES
CC(C)(C1CC(=O)C1)O
InChI
InChI=1S/C7H12O2/c1-7(2,9)5-3-6(8)4-5/h5,9H,3-4H2,1-2H3
InChIKey
ZSBNQMVPLFWFOA-UHFFFAOYSA-N
Compound name
3-(2-hydroxypropan-2-yl)cyclobutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

128.08372 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.09100 126.9
[M+Na]+ 151.07294 132.5
[M+NH4]+ 146.11754 130.8
[M+K]+ 167.04688 130.3
[M-H]- 127.07644 124.0
[M+Na-2H]- 149.05839 128.5
[M]+ 128.08317 125.5
[M]- 128.08427 125.5
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