CID 3020062

84696-82-2

Structural Information

Molecular Formula
C14H28O3
SMILES
CCCCCCC(CC)(C(C)C(=O)OCC)O
InChI
InChI=1S/C14H28O3/c1-5-8-9-10-11-14(16,6-2)12(4)13(15)17-7-3/h12,16H,5-11H2,1-4H3
InChIKey
OYUIXKXWTCGKRH-UHFFFAOYSA-N
Compound name
ethyl 3-ethyl-3-hydroxy-2-methylnonanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.20384 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.211116 164.0
[M+Na]+ 267.193058 167.9
[M-H]- 243.196564 161.9
[M+NH4]+ 262.237663 181.0
[M+K]+ 283.166998 166.8
[M+H-H2O]+ 227.201100 158.9
[M+HCOO]- 289.202041 181.1
[M+CH3COO]- 303.217691 195.0
[M+Na-2H]- 265.178506 164.6
[M]+ 244.20329142 168.3
[M]- 244.20438858 168.3
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

No patent data available for this compound.