CID 86908

17018-07-4

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

617
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 139.7
[M+Na]+ 195.09916 148.5
[M+NH4]+ 190.14376 145.9
[M+K]+ 211.07310 143.3
[M-H]- 171.10266 137.4
[M+Na-2H]- 193.08461 141.5
[M]+ 172.10939 139.9
[M]- 172.11049 139.9
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