CID 57509097

Schembl3748984

Structural Information

Molecular Formula
C17H32O3
SMILES
CCCOC(=O)C(C)(C)OC(C)C1CCCC(C1)(C)C
InChI
InChI=1S/C17H32O3/c1-7-11-19-15(18)17(5,6)20-13(2)14-9-8-10-16(3,4)12-14/h13-14H,7-12H2,1-6H3
InChIKey
RFRFKRLUTBNVAN-UHFFFAOYSA-N
Compound name
propyl 2-[1-(3,3-dimethylcyclohexyl)ethoxy]-2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

284.23514 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.242416 171.2
[M+Na]+ 307.224358 174.2
[M-H]- 283.227864 173.3
[M+NH4]+ 302.268963 189.1
[M+K]+ 323.198298 173.9
[M+H-H2O]+ 267.232400 166.3
[M+HCOO]- 329.233341 186.1
[M+CH3COO]- 343.248991 203.8
[M+Na-2H]- 305.209806 171.5
[M]+ 284.23459142 172.4
[M]- 284.23568858 172.4
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