CID 10057514

3-butylcyclobutan-1-one

Structural Information

Molecular Formula
C8H14O
SMILES
CCCCC1CC(=O)C1
InChI
InChI=1S/C8H14O/c1-2-3-4-7-5-8(9)6-7/h7H,2-6H2,1H3
InChIKey
JLYCAJAUKUFPEB-UHFFFAOYSA-N
Compound name
3-butylcyclobutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

126.10446 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.11174 126.0
[M+Na]+ 149.09368 132.7
[M+NH4]+ 144.13828 130.9
[M+K]+ 165.06762 128.5
[M-H]- 125.09718 124.8
[M+Na-2H]- 147.07913 128.7
[M]+ 126.10391 125.3
[M]- 126.10501 125.3
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