CID 206576

28169-59-7

Structural Information

Molecular Formula
C13H19NO6
SMILES
COCC(COC1=C(C=C(C=C1)OCOC)C(=O)N)O
InChI
InChI=1S/C13H19NO6/c1-17-6-9(15)7-19-12-4-3-10(20-8-18-2)5-11(12)13(14)16/h3-5,9,15H,6-8H2,1-2H3,(H2,14,16)
InChIKey
BGMZKDGMRBYEBB-UHFFFAOYSA-N
Compound name
2-(2-hydroxy-3-methoxypropoxy)-5-(methoxymethoxy)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.12125 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.12853 163.0
[M+Na]+ 308.11047 168.3
[M-H]- 284.11397 164.5
[M+NH4]+ 303.15507 177.3
[M+K]+ 324.08441 168.1
[M+H-H2O]+ 268.11851 155.6
[M+HCOO]- 330.11945 184.5
[M+CH3COO]- 344.13510 201.0
[M+Na-2H]- 306.09592 164.1
[M]+ 285.12070 168.1
[M]- 285.12180 168.1
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.