CID 101356

1,5-bis(oxolan-2-yl)pentan-3-yl propanoate

Structural Information

Molecular Formula
C16H28O4
SMILES
CCC(=O)OC(CCC1CCCO1)CCC2CCCO2
InChI
InChI=1S/C16H28O4/c1-2-16(17)20-15(9-7-13-5-3-11-18-13)10-8-14-6-4-12-19-14/h13-15H,2-12H2,1H3
InChIKey
ITEQMCODBRXQPS-UHFFFAOYSA-N
Compound name
1,5-bis(oxolan-2-yl)pentan-3-yl propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

284.19876 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.206036 173.9
[M+Na]+ 307.187978 174.9
[M-H]- 283.191484 179.6
[M+NH4]+ 302.232583 189.6
[M+K]+ 323.161918 176.0
[M+H-H2O]+ 267.196020 167.9
[M+HCOO]- 329.196961 190.3
[M+CH3COO]- 343.212611 198.2
[M+Na-2H]- 305.173426 171.4
[M]+ 284.19821142 174.3
[M]- 284.19930858 174.3
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

patents stripe