CID 110921

6736-22-7

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5865
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

No literature data available for this compound.

Patent stripe

patents stripe