CID 138978

2-[(pentyloxy)methyl]oxirane

Structural Information

Molecular Formula
C8H16O2
SMILES
CCCCCOCC1CO1
InChI
InChI=1S/C8H16O2/c1-2-3-4-5-9-6-8-7-10-8/h8H,2-7H2,1H3
InChIKey
IQCASZIDTNHBIW-UHFFFAOYSA-N
Compound name
2-(pentoxymethyl)oxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3182
Patents

144.11504 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.12232 132.8
[M+Na]+ 167.10426 141.3
[M-H]- 143.10776 138.0
[M+NH4]+ 162.14886 148.5
[M+K]+ 183.07820 141.4
[M+H-H2O]+ 127.11230 126.6
[M+HCOO]- 189.11324 155.8
[M+CH3COO]- 203.12889 179.1
[M+Na-2H]- 165.08971 140.5
[M]+ 144.11449 139.5
[M]- 144.11559 139.5
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

No patent data available for this compound.