CID 89694700

1-(3,3-dimethylcyclobutyl)ethan-1-one

Structural Information

Molecular Formula
C8H14O
SMILES
CC(=O)C1CC(C1)(C)C
InChI
InChI=1S/C8H14O/c1-6(9)7-4-8(2,3)5-7/h7H,4-5H2,1-3H3
InChIKey
JPRAZNAXUBVXFT-UHFFFAOYSA-N
Compound name
1-(3,3-dimethylcyclobutyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

126.10446 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.111736 126.2
[M+Na]+ 149.093678 132.9
[M-H]- 125.097184 130.4
[M+NH4]+ 144.138283 144.2
[M+K]+ 165.067618 135.5
[M+H-H2O]+ 109.101720 118.2
[M+HCOO]- 171.102661 147.2
[M+CH3COO]- 185.118311 177.4
[M+Na-2H]- 147.079126 131.3
[M]+ 126.10391142 134.8
[M]- 126.10500858 134.8
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