CID 3023203

Ns00063935

Structural Information

Molecular Formula
C9H18O5
SMILES
C=CCOCCC(O)OCC(CO)O
InChI
InChI=1S/C9H18O5/c1-2-4-13-5-3-9(12)14-7-8(11)6-10/h2,8-12H,1,3-7H2
InChIKey
YOAKRVNSFGYCEI-UHFFFAOYSA-N
Compound name
3-(1-hydroxy-3-prop-2-enoxypropoxy)propane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.11542 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.122696 147.9
[M+Na]+ 229.104638 152.2
[M-H]- 205.108144 143.3
[M+NH4]+ 224.149243 164.5
[M+K]+ 245.078578 151.2
[M+H-H2O]+ 189.112680 142.7
[M+HCOO]- 251.113621 165.5
[M+CH3COO]- 265.129271 179.3
[M+Na-2H]- 227.090086 149.3
[M]+ 206.11487142 149.8
[M]- 206.11596858 149.8
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

No patent data available for this compound.