CID 7834

1,2-epoxybutane

Structural Information

Molecular Formula
C4H8O
SMILES
CCC1CO1
InChI
InChI=1S/C4H8O/c1-2-4-3-5-4/h4H,2-3H2,1H3
InChIKey
RBACIKXCRWGCBB-UHFFFAOYSA-N
Compound name
2-ethyloxirane
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

51
References

62834
Patents

72.05752 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 73.064796 111.6
[M+Na]+ 95.046738 121.7
[M-H]- 71.050244 117.5
[M+NH4]+ 90.091343 130.1
[M+K]+ 111.02068 122.6
[M+H-H2O]+ 55.054780 106.2
[M+HCOO]- 117.05572 135.6
[M+CH3COO]- 131.07137 165.6
[M+Na-2H]- 93.032186 121.5
[M]+ 72.056971 115.4
[M]- 72.058069 115.4
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