CID 14211540

4-(3-amino-2-hydroxypropoxy)phenylacetamide

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

literature stripe

Patent stripe

patents stripe