CID 13203950

2-cyclopentyloxirane

Structural Information

Molecular Formula
C7H12O
SMILES
C1CCC(C1)C2CO2
InChI
InChI=1S/C7H12O/c1-2-4-6(3-1)7-5-8-7/h6-7H,1-5H2
InChIKey
JFFFDMRLXIJHEF-UHFFFAOYSA-N
Compound name
2-cyclopentyloxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

112.08881 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.09609 120.4
[M+Na]+ 135.07803 128.6
[M-H]- 111.08153 128.3
[M+NH4]+ 130.12263 138.5
[M+K]+ 151.05197 128.7
[M+H-H2O]+ 95.086070 114.7
[M+HCOO]- 157.08701 142.8
[M+CH3COO]- 171.10266 170.7
[M+Na-2H]- 133.06348 127.1
[M]+ 112.08826 120.7
[M]- 112.08936 120.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe