CID 13509167

2-(cyclopentylmethyl)oxirane

Structural Information

Molecular Formula
C8H14O
SMILES
C1CCC(C1)CC2CO2
InChI
InChI=1S/C8H14O/c1-2-4-7(3-1)5-8-6-9-8/h7-8H,1-6H2
InChIKey
PSBATMRQJOXMIS-UHFFFAOYSA-N
Compound name
2-(cyclopentylmethyl)oxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

126.10446 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.111736 124.7
[M+Na]+ 149.093678 132.5
[M-H]- 125.097184 132.4
[M+NH4]+ 144.138283 142.3
[M+K]+ 165.067618 132.3
[M+H-H2O]+ 109.101720 118.8
[M+HCOO]- 171.102661 146.8
[M+CH3COO]- 185.118311 173.5
[M+Na-2H]- 147.079126 130.9
[M]+ 126.10391142 125.3
[M]- 126.10500858 125.3
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