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

12
Patents

142.09938 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.10666 129.9
[M+Na]+ 165.08860 135.5
[M-H]- 141.09210 133.6
[M+NH4]+ 160.13320 146.8
[M+K]+ 181.06254 138.6
[M+H-H2O]+ 125.09664 121.3
[M+HCOO]- 187.09758 151.0
[M+CH3COO]- 201.11323 178.2
[M+Na-2H]- 163.07405 135.6
[M]+ 142.09883 139.5
[M]- 142.09993 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