CID 3135546

4-(2-aminoethoxy)benzoic acid hydrochloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

227
Patents

181.0739 Da
Monoisotopic Mass

-1.2
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

literature stripe

Patent stripe

patents stripe