CID 116367

Oxirane, 2,2-di-tert-pentyl-

Structural Information

Molecular Formula
C12H24O
SMILES
CC(C)(C)CC1(CO1)CC(C)(C)C
InChI
InChI=1S/C12H24O/c1-10(2,3)7-12(9-13-12)8-11(4,5)6/h7-9H2,1-6H3
InChIKey
BWGSZHJIVJXUFR-UHFFFAOYSA-N
Compound name
2,2-bis(2,2-dimethylpropyl)oxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

184.18271 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.189986 143.7
[M+Na]+ 207.171928 152.1
[M-H]- 183.175434 149.2
[M+NH4]+ 202.216533 160.3
[M+K]+ 223.145868 152.9
[M+H-H2O]+ 167.179970 139.8
[M+HCOO]- 229.180911 162.0
[M+CH3COO]- 243.196561 187.9
[M+Na-2H]- 205.157376 152.2
[M]+ 184.18216142 149.8
[M]- 184.18325858 149.8
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

patents stripe