CID 95643

Einecs 280-872-9

Structural Information

Molecular Formula
C15H28O3
SMILES
CCCCCCCCCC1(C(O1)C(=O)OCC)C
InChI
InChI=1S/C15H28O3/c1-4-6-7-8-9-10-11-12-15(3)13(18-15)14(16)17-5-2/h13H,4-12H2,1-3H3
InChIKey
YHCBZNQNUSFQOF-UHFFFAOYSA-N
Compound name
ethyl 3-methyl-3-nonyloxirane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

256.20386 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.211136 164.0
[M+Na]+ 279.193078 171.3
[M-H]- 255.196584 168.7
[M+NH4]+ 274.237683 177.5
[M+K]+ 295.167018 170.6
[M+H-H2O]+ 239.201120 158.3
[M+HCOO]- 301.202061 183.8
[M+CH3COO]- 315.217711 201.0
[M+Na-2H]- 277.178526 167.5
[M]+ 256.20331142 174.1
[M]- 256.20440858 174.1
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.