CID 3048392

3-(2-allyl-p-tolyloxy)-1,2-propanediol

Structural Information

Molecular Formula
C13H18O3
SMILES
CC1=CC(=C(C=C1)OCC(CO)O)CC=C
InChI
InChI=1S/C13H18O3/c1-3-4-11-7-10(2)5-6-13(11)16-9-12(15)8-14/h3,5-7,12,14-15H,1,4,8-9H2,2H3
InChIKey
ZPOGTLCICRJACI-UHFFFAOYSA-N
Compound name
3-(4-methyl-2-prop-2-enylphenoxy)propane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.1256 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.132876 151.0
[M+Na]+ 245.114818 157.6
[M-H]- 221.118324 151.8
[M+NH4]+ 240.159423 168.3
[M+K]+ 261.088758 154.4
[M+H-H2O]+ 205.122860 145.3
[M+HCOO]- 267.123801 171.1
[M+CH3COO]- 281.139451 186.6
[M+Na-2H]- 243.100266 153.4
[M]+ 222.12505142 152.4
[M]- 222.12614858 152.4
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

No patent data available for this compound.