CID 86908

Glycerol alpha,alpha'-diallyl ether

Structural Information

Molecular Formula
C9H16O3
SMILES
C=CCOCC(COCC=C)O
InChI
InChI=1S/C9H16O3/c1-3-5-11-7-9(10)8-12-6-4-2/h3-4,9-10H,1-2,5-8H2
InChIKey
OFLGYLDXUIXHQY-UHFFFAOYSA-N
Compound name
1,3-bis(prop-2-enoxy)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

666
Patents

172.10994 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.11722 139.6
[M+Na]+ 195.09916 145.5
[M-H]- 171.10266 138.0
[M+NH4]+ 190.14376 159.2
[M+K]+ 211.07310 144.2
[M+H-H2O]+ 155.10720 134.6
[M+HCOO]- 217.10814 161.0
[M+CH3COO]- 231.12379 178.5
[M+Na-2H]- 193.08461 143.3
[M]+ 172.10939 142.4
[M]- 172.11049 142.4
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