CID 89694623

1-(3-methoxycyclobutyl)ethan-1-one

Structural Information

Molecular Formula
C7H12O2
SMILES
CC(=O)C1CC(C1)OC
InChI
InChI=1S/C7H12O2/c1-5(8)6-3-7(4-6)9-2/h6-7H,3-4H2,1-2H3
InChIKey
AWUNMVJFCFYSBK-UHFFFAOYSA-N
Compound name
1-(3-methoxycyclobutyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

128.08372 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.090996 123.5
[M+Na]+ 151.072938 129.5
[M-H]- 127.076444 127.2
[M+NH4]+ 146.117543 139.2
[M+K]+ 167.046878 132.8
[M+H-H2O]+ 111.080980 113.9
[M+HCOO]- 173.081921 144.9
[M+CH3COO]- 187.097571 176.8
[M+Na-2H]- 149.058386 128.0
[M]+ 128.08317142 132.7
[M]- 128.08426858 132.7
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