CID 19748541

2-methyl-2-(4-methylpentyl)oxirane

Structural Information

Molecular Formula
C9H18O
SMILES
CC(C)CCCC1(CO1)C
InChI
InChI=1S/C9H18O/c1-8(2)5-4-6-9(3)7-10-9/h8H,4-7H2,1-3H3
InChIKey
HSGWRPLUNQOJTK-UHFFFAOYSA-N
Compound name
2-methyl-2-(4-methylpentyl)oxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

142.13577 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.14305 132.9
[M+Na]+ 165.12499 141.3
[M-H]- 141.12849 138.3
[M+NH4]+ 160.16959 150.5
[M+K]+ 181.09893 142.2
[M+H-H2O]+ 125.13303 128.0
[M+HCOO]- 187.13397 154.0
[M+CH3COO]- 201.14962 180.5
[M+Na-2H]- 163.11044 140.0
[M]+ 142.13522 138.2
[M]- 142.13632 138.2
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