CID 21118717

Schembl3417372

Structural Information

Molecular Formula
C9H16O3
SMILES
CCC(O)(OCC=C)OCC=C
InChI
InChI=1S/C9H16O3/c1-4-7-11-9(10,6-3)12-8-5-2/h4-5,10H,1-2,6-8H2,3H3
InChIKey
SZKBKSIMUIHRTI-UHFFFAOYSA-N
Compound name
1,1-bis(prop-2-enoxy)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

172.10994 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.117216 139.2
[M+Na]+ 195.099158 145.8
[M-H]- 171.102664 137.8
[M+NH4]+ 190.143763 159.0
[M+K]+ 211.073098 144.4
[M+H-H2O]+ 155.107200 134.9
[M+HCOO]- 217.108141 160.1
[M+CH3COO]- 231.123791 178.0
[M+Na-2H]- 193.084606 145.0
[M]+ 172.10939142 142.2
[M]- 172.11048858 142.2
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