CID 18632

2,3-epoxybutane

Structural Information

Molecular Formula
C4H8O
SMILES
CC1C(O1)C
InChI
InChI=1S/C4H8O/c1-3-4(2)5-3/h3-4H,1-2H3
InChIKey
PQXKWPLDPFFDJP-UHFFFAOYSA-N
Compound name
2,3-dimethyloxirane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

23
References

99095
Patents

72.05752 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 73.064796 110.9
[M+Na]+ 95.046738 121.9
[M-H]- 71.050244 117.2
[M+NH4]+ 90.091343 129.7
[M+K]+ 111.02068 122.7
[M+H-H2O]+ 55.054780 105.8
[M+HCOO]- 117.05572 134.9
[M+CH3COO]- 131.07137 166.7
[M+Na-2H]- 93.032186 120.2
[M]+ 72.056971 115.1
[M]- 72.058069 115.1
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