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]+ 127.11174 126.2
[M+Na]+ 149.09368 132.9
[M-H]- 125.09718 130.4
[M+NH4]+ 144.13828 144.2
[M+K]+ 165.06762 135.5
[M+H-H2O]+ 109.10172 118.2
[M+HCOO]- 171.10266 147.2
[M+CH3COO]- 185.11831 177.4
[M+Na-2H]- 147.07913 131.3
[M]+ 126.10391 134.8
[M]- 126.10501 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