CID 5743514

Ethyl 3-(4,8-dimethylnonyl)-3-methyloxirane-2-carboxylate

Structural Information

Molecular Formula
C17H32O3
SMILES
CCOC(=O)C1C(O1)(C)CCCC(C)CCCC(C)C
InChI
InChI=1S/C17H32O3/c1-6-19-16(18)15-17(5,20-15)12-8-11-14(4)10-7-9-13(2)3/h13-15H,6-12H2,1-5H3
InChIKey
CZTQWRCUYARWGN-UHFFFAOYSA-N
Compound name
ethyl 3-(4,8-dimethylnonyl)-3-methyloxirane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.23514 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.242416 171.4
[M+Na]+ 307.224358 177.4
[M-H]- 283.227864 175.8
[M+NH4]+ 302.268963 183.7
[M+K]+ 323.198298 177.1
[M+H-H2O]+ 267.232400 165.8
[M+HCOO]- 329.233341 188.7
[M+CH3COO]- 343.248991 208.3
[M+Na-2H]- 305.209806 171.7
[M]+ 284.23459142 181.1
[M]- 284.23568858 181.1
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.