CID 91346

Benzamide, o-(2,3-dihydroxypropoxy)-

Structural Information

Molecular Formula
C10H13NO4
SMILES
C1=CC=C(C(=C1)C(=O)N)OCC(CO)O
InChI
InChI=1S/C10H13NO4/c11-10(14)8-3-1-2-4-9(8)15-6-7(13)5-12/h1-4,7,12-13H,5-6H2,(H2,11,14)
InChIKey
FSGOAEWOBMTEJB-UHFFFAOYSA-N
Compound name
2-(2,3-dihydroxypropoxy)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

211.08446 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.091736 145.3
[M+Na]+ 234.073678 150.9
[M-H]- 210.077184 145.7
[M+NH4]+ 229.118283 161.8
[M+K]+ 250.047618 149.2
[M+H-H2O]+ 194.081720 139.1
[M+HCOO]- 256.082661 165.9
[M+CH3COO]- 270.098311 183.9
[M+Na-2H]- 232.059126 148.0
[M]+ 211.08391142 144.1
[M]- 211.08500858 144.1
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

patents stripe