CID 16063567

141773-73-1

Structural Information

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

2D Structure

compound 2d structure
3
Annotation Hits

0
References

777
Patents

284.23514 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.24242 171.2
[M+Na]+ 307.22436 174.2
[M-H]- 283.22786 173.3
[M+NH4]+ 302.26896 189.1
[M+K]+ 323.19830 173.9
[M+H-H2O]+ 267.23240 166.3
[M+HCOO]- 329.23334 186.1
[M+CH3COO]- 343.24899 203.8
[M+Na-2H]- 305.20981 171.5
[M]+ 284.23459 172.4
[M]- 284.23569 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

literature stripe

Patent stripe

patents stripe