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]+ 129.09100 121.7
[M+Na]+ 151.07294 128.1
[M-H]- 127.07644 125.4
[M+NH4]+ 146.11754 137.6
[M+K]+ 167.04688 130.9
[M+H-H2O]+ 111.08098 112.2
[M+HCOO]- 173.08192 144.2
[M+CH3COO]- 187.09757 176.0
[M+Na-2H]- 149.05839 127.7
[M]+ 128.08317 131.7
[M]- 128.08427 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.