CID 84063978

1-(oxetan-2-yl)ethan-1-one

Structural Information

Molecular Formula
C5H8O2
SMILES
CC(=O)C1CCO1
InChI
InChI=1S/C5H8O2/c1-4(6)5-2-3-7-5/h5H,2-3H2,1H3
InChIKey
SNKPYLCZGPGQNS-UHFFFAOYSA-N
Compound name
1-(oxetan-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

100.05243 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 101.05971 112.8
[M+Na]+ 123.04165 118.8
[M-H]- 99.045154 117.3
[M+NH4]+ 118.08625 128.3
[M+K]+ 139.01559 123.6
[M+H-H2O]+ 83.049690 103.5
[M+HCOO]- 145.05063 134.2
[M+CH3COO]- 159.06628 169.8
[M+Na-2H]- 121.02710 120.4
[M]+ 100.05188 121.7
[M]- 100.05298 121.7
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