CID 14451762

3-(4-aminophenoxy)propanoic acid

Structural Information

Molecular Formula
C9H11NO3
SMILES
C1=CC(=CC=C1N)OCCC(=O)O
InChI
InChI=1S/C9H11NO3/c10-7-1-3-8(4-2-7)13-6-5-9(11)12/h1-4H,5-6,10H2,(H,11,12)
InChIKey
BXZFRAKKWTXCSD-UHFFFAOYSA-N
Compound name
3-(4-aminophenoxy)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

181.0739 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.08118 137.1
[M+Na]+ 204.06312 144.0
[M-H]- 180.06662 139.1
[M+NH4]+ 199.10772 155.8
[M+K]+ 220.03706 142.2
[M+H-H2O]+ 164.07116 131.1
[M+HCOO]- 226.07210 160.4
[M+CH3COO]- 240.08775 180.2
[M+Na-2H]- 202.04857 142.1
[M]+ 181.07335 136.7
[M]- 181.07445 136.7
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