CID 12222956

Cyclobutanone, 2,2,3,3-tetramethyl-

Structural Information

Molecular Formula
C8H14O
SMILES
CC1(CC(=O)C1(C)C)C
InChI
InChI=1S/C8H14O/c1-7(2)5-6(9)8(7,3)4/h5H2,1-4H3
InChIKey
FLWOPBVTWAAMFT-UHFFFAOYSA-N
Compound name
2,2,3,3-tetramethylcyclobutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

126.10446 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.11174 126.0
[M+Na]+ 149.09368 133.4
[M+NH4]+ 144.13828 133.7
[M+K]+ 165.06762 126.2
[M-H]- 125.09718 124.9
[M+Na-2H]- 147.07913 131.6
[M]+ 126.10391 125.9
[M]- 126.10501 125.9
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