CID 14499

3-ethyl-2,2-dimethyloxirane

Structural Information

Molecular Formula
C6H12O
SMILES
CCC1C(O1)(C)C
InChI
InChI=1S/C6H12O/c1-4-5-6(2,3)7-5/h5H,4H2,1-3H3
InChIKey
OZVWXRGXOYUQEJ-UHFFFAOYSA-N
Compound name
3-ethyl-2,2-dimethyloxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

123
Patents

100.08881 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 101.096086 119.1
[M+Na]+ 123.078028 129.9
[M-H]- 99.081534 125.4
[M+NH4]+ 118.122633 138.8
[M+K]+ 139.051968 131.1
[M+H-H2O]+ 83.086070 114.9
[M+HCOO]- 145.087011 142.1
[M+CH3COO]- 159.102661 172.1
[M+Na-2H]- 121.063476 128.4
[M]+ 100.08826142 124.4
[M]- 100.08935858 124.4
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