CID 14211540

81346-71-6

Structural Information

Molecular Formula
C11H16N2O3
SMILES
C1=CC(=CC=C1CC(=O)N)OCC(CN)O
InChI
InChI=1S/C11H16N2O3/c12-6-9(14)7-16-10-3-1-8(2-4-10)5-11(13)15/h1-4,9,14H,5-7,12H2,(H2,13,15)
InChIKey
UWMXVJVTKRSOPW-UHFFFAOYSA-N
Compound name
2-[4-(3-amino-2-hydroxypropoxy)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

2
References

1
Patents

224.11609 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.12337 150.7
[M+Na]+ 247.10531 155.6
[M-H]- 223.10881 151.8
[M+NH4]+ 242.14991 166.8
[M+K]+ 263.07925 153.6
[M+H-H2O]+ 207.11335 143.9
[M+HCOO]- 269.11429 172.7
[M+CH3COO]- 283.12994 191.9
[M+Na-2H]- 245.09076 152.5
[M]+ 224.11554 148.6
[M]- 224.11664 148.6
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.