CID 25418841

4900-26-9

Structural Information

Molecular Formula
C9H11NO3
SMILES
C1=CC(=C(C=C1CCN)C(=O)O)O
InChI
InChI=1S/C9H11NO3/c10-4-3-6-1-2-8(11)7(5-6)9(12)13/h1-2,5,11H,3-4,10H2,(H,12,13)
InChIKey
UVHVULDKNLJNRZ-UHFFFAOYSA-N
Compound name
5-(2-aminoethyl)-2-hydroxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

181.0739 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.081176 137.4
[M+Na]+ 204.063118 144.8
[M-H]- 180.066624 138.4
[M+NH4]+ 199.107723 155.7
[M+K]+ 220.037058 142.2
[M+H-H2O]+ 164.071160 131.9
[M+HCOO]- 226.072101 159.2
[M+CH3COO]- 240.087751 179.0
[M+Na-2H]- 202.048566 141.1
[M]+ 181.07335142 135.5
[M]- 181.07444858 135.5
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