CID 101356

7507-50-8

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

7
Patents

284.19876 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.20604 173.9
[M+Na]+ 307.18798 174.9
[M-H]- 283.19148 179.6
[M+NH4]+ 302.23258 189.6
[M+K]+ 323.16192 176.0
[M+H-H2O]+ 267.19602 167.9
[M+HCOO]- 329.19696 190.3
[M+CH3COO]- 343.21261 198.2
[M+Na-2H]- 305.17343 171.4
[M]+ 284.19821 174.3
[M]- 284.19931 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