CID 40920

2-ethyl-3-propyloxirane

Structural Information

Molecular Formula
C7H14O
SMILES
CCCC1C(O1)CC
InChI
InChI=1S/C7H14O/c1-3-5-7-6(4-2)8-7/h6-7H,3-5H2,1-2H3
InChIKey
ZNAFWUJVHGNGIF-UHFFFAOYSA-N
Compound name
2-ethyl-3-propyloxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

395
Patents

114.10446 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.111736 124.1
[M+Na]+ 137.093678 133.9
[M-H]- 113.097184 129.8
[M+NH4]+ 132.138283 141.3
[M+K]+ 153.067618 133.9
[M+H-H2O]+ 97.101720 118.5
[M+HCOO]- 159.102661 147.2
[M+CH3COO]- 173.118311 175.4
[M+Na-2H]- 135.079126 131.8
[M]+ 114.10391142 129.3
[M]- 114.10500858 129.3
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