CID 32949

Guaiacol glyceryl ether mononicotinate

Structural Information

Molecular Formula
C16H17NO5
SMILES
COC1=CC=CC=C1OCC(COC(=O)C2=CN=CC=C2)O
InChI
InChI=1S/C16H17NO5/c1-20-14-6-2-3-7-15(14)21-10-13(18)11-22-16(19)12-5-4-8-17-9-12/h2-9,13,18H,10-11H2,1H3
InChIKey
KEILUTHWAVRVQU-UHFFFAOYSA-N
Compound name
[2-hydroxy-3-(2-methoxyphenoxy)propyl] pyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.1107 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.11798 168.3
[M+Na]+ 326.09992 173.7
[M-H]- 302.10342 171.9
[M+NH4]+ 321.14452 180.5
[M+K]+ 342.07386 171.8
[M+H-H2O]+ 286.10796 159.2
[M+HCOO]- 348.10890 188.4
[M+CH3COO]- 362.12455 199.8
[M+Na-2H]- 324.08537 171.9
[M]+ 303.11015 172.1
[M]- 303.11125 172.1
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.