CID 14405861

Tetramethyloxetan-3-one

Structural Information

Molecular Formula
C7H12O2
SMILES
CC1(C(=O)C(O1)(C)C)C
InChI
InChI=1S/C7H12O2/c1-6(2)5(8)7(3,4)9-6/h1-4H3
InChIKey
ICAWCCAAVMFWRH-UHFFFAOYSA-N
Compound name
2,2,4,4-tetramethyloxetan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

128.08372 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.09100 119.3
[M+Na]+ 151.07294 128.3
[M-H]- 127.07644 125.0
[M+NH4]+ 146.11754 138.4
[M+K]+ 167.04688 132.3
[M+H-H2O]+ 111.08098 113.1
[M+HCOO]- 173.08192 141.0
[M+CH3COO]- 187.09757 176.4
[M+Na-2H]- 149.05839 128.2
[M]+ 128.08317 131.0
[M]- 128.08427 131.0
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