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]+ 185.18999 143.7
[M+Na]+ 207.17193 152.1
[M-H]- 183.17543 149.2
[M+NH4]+ 202.21653 160.3
[M+K]+ 223.14587 152.9
[M+H-H2O]+ 167.17997 139.8
[M+HCOO]- 229.18091 162.0
[M+CH3COO]- 243.19656 187.9
[M+Na-2H]- 205.15738 152.2
[M]+ 184.18216 149.8
[M]- 184.18326 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