CID 113944

3-(p-ethoxybenzyloxy)-1,2-propanediol

Structural Information

Molecular Formula
C12H18O4
SMILES
CCOC1=CC=C(C=C1)COCC(CO)O
InChI
InChI=1S/C12H18O4/c1-2-16-12-5-3-10(4-6-12)8-15-9-11(14)7-13/h3-6,11,13-14H,2,7-9H2,1H3
InChIKey
NTOIBZJBOAYNRO-UHFFFAOYSA-N
Compound name
3-[(4-ethoxyphenyl)methoxy]propane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.12051 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.12779 151.2
[M+Na]+ 249.10973 156.9
[M-H]- 225.11323 151.7
[M+NH4]+ 244.15433 168.0
[M+K]+ 265.08367 155.1
[M+H-H2O]+ 209.11777 145.0
[M+HCOO]- 271.11871 171.6
[M+CH3COO]- 285.13436 185.3
[M+Na-2H]- 247.09518 154.8
[M]+ 226.11996 153.9
[M]- 226.12106 153.9
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.