CID 21158

2,2,3-trimethyloxirane

Structural Information

Molecular Formula
C5H10O
SMILES
CC1C(O1)(C)C
InChI
InChI=1S/C5H10O/c1-4-5(2,3)6-4/h4H,1-3H3
InChIKey
QPBYBLZYMNWGMO-UHFFFAOYSA-N
Compound name
2,2,3-trimethyloxirane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

1159
Patents

86.073166 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 87.080442 116.1
[M+Na]+ 109.06238 129.9
[M+NH4]+ 104.10699 127.5
[M+K]+ 125.03632 124.4
[M-H]- 85.065890 126.1
[M+Na-2H]- 107.04783 125.9
[M]+ 86.072617 122.3
[M]- 86.073715 122.3
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