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

6
Patents

126.10446 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.11174 124.7
[M+Na]+ 149.09368 132.5
[M-H]- 125.09718 132.4
[M+NH4]+ 144.13828 142.3
[M+K]+ 165.06762 132.3
[M+H-H2O]+ 109.10172 118.8
[M+HCOO]- 171.10266 146.8
[M+CH3COO]- 185.11831 173.5
[M+Na-2H]- 147.07913 130.9
[M]+ 126.10391 125.3
[M]- 126.10501 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