CID 5743701

2-(2,2-dimethylbutyl)-2,3-dimethyloxirane

Structural Information

Molecular Formula
C10H20O
SMILES
CCC(C)(C)CC1(C(O1)C)C
InChI
InChI=1S/C10H20O/c1-6-9(3,4)7-10(5)8(2)11-10/h8H,6-7H2,1-5H3
InChIKey
NAXYTJIPVBENDF-UHFFFAOYSA-N
Compound name
2-(2,2-dimethylbutyl)-2,3-dimethyloxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

156.15141 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.15869 135.3
[M+Na]+ 179.14063 144.9
[M-H]- 155.14413 141.1
[M+NH4]+ 174.18523 152.9
[M+K]+ 195.11457 145.5
[M+H-H2O]+ 139.14867 131.2
[M+HCOO]- 201.14961 155.5
[M+CH3COO]- 215.16526 184.0
[M+Na-2H]- 177.12608 143.3
[M]+ 156.15086 141.6
[M]- 156.15196 141.6
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

No patent data available for this compound.