CID 14496

Cyclobutanone

Structural Information

Molecular Formula
C4H6O
SMILES
C1CC(=O)C1
InChI
InChI=1S/C4H6O/c5-4-2-1-3-4/h1-3H2
InChIKey
SHQSVMDWKBRBGB-UHFFFAOYSA-N
Compound name
cyclobutanone
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

150
References

31419
Patents

70.04186 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 71.049136 105.1
[M+Na]+ 93.031078 112.0
[M-H]- 69.034584 109.1
[M+NH4]+ 88.075683 123.1
[M+K]+ 109.00502 115.2
[M+H-H2O]+ 53.039120 96.3
[M+HCOO]- 115.04006 128.5
[M+CH3COO]- 129.05571 164.2
[M+Na-2H]- 91.016526 113.6
[M]+ 70.041311 112.3
[M]- 70.042409 112.3
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.