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

32094
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

literature stripe

Patent stripe

patents stripe