CID 66366828

3-propoxycyclobutan-1-one

Structural Information

Molecular Formula
C7H12O2
SMILES
CCCOC1CC(=O)C1
InChI
InChI=1S/C7H12O2/c1-2-3-9-7-4-6(8)5-7/h7H,2-5H2,1H3
InChIKey
JMIQNNOYCJIKOD-UHFFFAOYSA-N
Compound name
3-propoxycyclobutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

128.08372 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.090996 121.7
[M+Na]+ 151.072938 128.1
[M-H]- 127.076444 125.4
[M+NH4]+ 146.117543 137.6
[M+K]+ 167.046878 130.9
[M+H-H2O]+ 111.080980 112.2
[M+HCOO]- 173.081921 144.2
[M+CH3COO]- 187.097571 176.0
[M+Na-2H]- 149.058386 127.7
[M]+ 128.08317142 131.7
[M]- 128.08426858 131.7
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

No patent data available for this compound.