CID 13523039

1-(1-methoxycyclobutyl)propan-2-one

Structural Information

Molecular Formula
C8H14O2
SMILES
CC(=O)CC1(CCC1)OC
InChI
InChI=1S/C8H14O2/c1-7(9)6-8(10-2)4-3-5-8/h3-6H2,1-2H3
InChIKey
FJYXCGPRYMVDIL-UHFFFAOYSA-N
Compound name
1-(1-methoxycyclobutyl)propan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

142.09938 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.106656 129.9
[M+Na]+ 165.088598 135.5
[M-H]- 141.092104 133.6
[M+NH4]+ 160.133203 146.8
[M+K]+ 181.062538 138.6
[M+H-H2O]+ 125.096640 121.3
[M+HCOO]- 187.097581 151.0
[M+CH3COO]- 201.113231 178.2
[M+Na-2H]- 163.074046 135.6
[M]+ 142.09883142 139.5
[M]- 142.09992858 139.5
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