CID 95410

2-(2,2-dimethylpropyl)-2-methyloxirane

Structural Information

Molecular Formula
C8H16O
SMILES
CC1(CO1)CC(C)(C)C
InChI
InChI=1S/C8H16O/c1-7(2,3)5-8(4)6-9-8/h5-6H2,1-4H3
InChIKey
WZHRVCOCPMCGEA-UHFFFAOYSA-N
Compound name
2-(2,2-dimethylpropyl)-2-methyloxirane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

188
Patents

128.12012 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.127396 128.1
[M+Na]+ 151.109338 137.6
[M-H]- 127.112844 134.0
[M+NH4]+ 146.153943 146.5
[M+K]+ 167.083278 138.9
[M+H-H2O]+ 111.117380 124.0
[M+HCOO]- 173.118321 149.0
[M+CH3COO]- 187.133971 176.5
[M+Na-2H]- 149.094786 137.6
[M]+ 128.11957142 133.2
[M]- 128.12066858 133.2
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