CID 71758314

3-hydroxy-2,2-dimethylcyclobutan-1-one

Structural Information

Molecular Formula
C6H10O2
SMILES
CC1(C(CC1=O)O)C
InChI
InChI=1S/C6H10O2/c1-6(2)4(7)3-5(6)8/h4,7H,3H2,1-2H3
InChIKey
HIHXJYFTNFBAKH-UHFFFAOYSA-N
Compound name
3-hydroxy-2,2-dimethylcyclobutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

114.06808 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.07536 119.3
[M+Na]+ 137.05730 127.3
[M-H]- 113.06080 122.6
[M+NH4]+ 132.10190 137.3
[M+K]+ 153.03124 129.5
[M+H-H2O]+ 97.065340 111.9
[M+HCOO]- 159.06628 140.5
[M+CH3COO]- 173.08193 171.1
[M+Na-2H]- 135.04275 125.6
[M]+ 114.06753 127.7
[M]- 114.06863 127.7
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.