CID 440311

3-amino-3-(4-hydroxyphenyl)propanoic acid

Structural Information

Molecular Formula
C9H11NO3
SMILES
C1=CC(=CC=C1C(CC(=O)O)N)O
InChI
InChI=1S/C9H11NO3/c10-8(5-9(12)13)6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)
InChIKey
JYPHNHPXFNEZBR-UHFFFAOYSA-N
Compound name
3-amino-3-(4-hydroxyphenyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

628
Patents

181.0739 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.08118 138.1
[M+Na]+ 204.06312 144.3
[M-H]- 180.06662 138.7
[M+NH4]+ 199.10772 156.0
[M+K]+ 220.03706 142.2
[M+H-H2O]+ 164.07116 132.5
[M+HCOO]- 226.07210 158.9
[M+CH3COO]- 240.08775 178.7
[M+Na-2H]- 202.04857 141.2
[M]+ 181.07335 135.2
[M]- 181.07445 135.2
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