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]+ 257.21114 164.0
[M+Na]+ 279.19308 171.3
[M-H]- 255.19658 168.7
[M+NH4]+ 274.23768 177.5
[M+K]+ 295.16702 170.6
[M+H-H2O]+ 239.20112 158.3
[M+HCOO]- 301.20206 183.8
[M+CH3COO]- 315.21771 201.0
[M+Na-2H]- 277.17853 167.5
[M]+ 256.20331 174.1
[M]- 256.20441 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.