CID 13668340

68901-05-3

Structural Information

Molecular Formula
C15H24O6
SMILES
C=CC(=O)OCCCOCCCOCCCOC(=O)C=C
InChI
InChI=1S/C15H24O6/c1-3-14(16)20-12-6-10-18-8-5-9-19-11-7-13-21-15(17)4-2/h3-4H,1-2,5-13H2
InChIKey
FWQJYIDNAYBUMM-UHFFFAOYSA-N
Compound name
3-[3-(3-prop-2-enoyloxypropoxy)propoxy]propyl prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

77
Patents

300.1573 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.164576 171.1
[M+Na]+ 323.146518 175.2
[M-H]- 299.150024 169.9
[M+NH4]+ 318.191123 186.0
[M+K]+ 339.120458 174.1
[M+H-H2O]+ 283.154560 164.4
[M+HCOO]- 345.155501 192.2
[M+CH3COO]- 359.171151 202.9
[M+Na-2H]- 321.131966 171.4
[M]+ 300.15675142 180.4
[M]- 300.15784858 180.4
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