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

1
Patents

142.13577 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.143046 132.9
[M+Na]+ 165.124988 141.3
[M-H]- 141.128494 138.3
[M+NH4]+ 160.169593 150.5
[M+K]+ 181.098928 142.2
[M+H-H2O]+ 125.133030 128.0
[M+HCOO]- 187.133971 154.0
[M+CH3COO]- 201.149621 180.5
[M+Na-2H]- 163.110436 140.0
[M]+ 142.13522142 138.2
[M]- 142.13631858 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