CID 4460652

3,6,9,12,15-pentaoxaheptadeca-1,16-diene

Structural Information

Molecular Formula
C12H22O5
SMILES
C=COCCOCCOCCOCCOC=C
InChI
InChI=1S/C12H22O5/c1-3-13-5-7-15-9-11-17-12-10-16-8-6-14-4-2/h3-4H,1-2,5-12H2
InChIKey
UEIPWOFSKAZYJO-UHFFFAOYSA-N
Compound name
1-(2-ethenoxyethoxy)-2-[2-(2-ethenoxyethoxy)ethoxy]ethane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5118
Patents

246.14673 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.154006 156.8
[M+Na]+ 269.135948 161.9
[M-H]- 245.139454 155.8
[M+NH4]+ 264.180553 174.0
[M+K]+ 285.109888 161.3
[M+H-H2O]+ 229.143990 150.4
[M+HCOO]- 291.144931 180.2
[M+CH3COO]- 305.160581 193.4
[M+Na-2H]- 267.121396 160.9
[M]+ 246.14618142 166.3
[M]- 246.14727858 166.3
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