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
2
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]+ 157.158686 135.3
[M+Na]+ 179.140628 144.9
[M-H]- 155.144134 141.1
[M+NH4]+ 174.185233 152.9
[M+K]+ 195.114568 145.5
[M+H-H2O]+ 139.148670 131.2
[M+HCOO]- 201.149611 155.5
[M+CH3COO]- 215.165261 184.0
[M+Na-2H]- 177.126076 143.3
[M]+ 156.15086142 141.6
[M]- 156.15195858 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.