CID 28430

17257-81-7

Structural Information

Molecular Formula
C6H10O2
SMILES
CCC1C(O1)C(=O)C
InChI
InChI=1S/C6H10O2/c1-3-5-6(8-5)4(2)7/h5-6H,3H2,1-2H3
InChIKey
MXXCXQDATRPYND-UHFFFAOYSA-N
Compound name
1-(3-ethyloxiran-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

114.06808 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.075356 122.0
[M+Na]+ 137.057298 132.3
[M-H]- 113.060804 128.0
[M+NH4]+ 132.101903 139.0
[M+K]+ 153.031238 132.5
[M+H-H2O]+ 97.065340 116.6
[M+HCOO]- 159.066281 144.8
[M+CH3COO]- 173.081931 174.3
[M+Na-2H]- 135.042746 129.0
[M]+ 114.06753142 127.1
[M]- 114.06862858 127.1
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