CID 117636

25784-00-3

Structural Information

Molecular Formula
C9H11NO3
SMILES
C1=CC=C(C(=C1)C(=O)O)NCCO
InChI
InChI=1S/C9H11NO3/c11-6-5-10-8-4-2-1-3-7(8)9(12)13/h1-4,10-11H,5-6H2,(H,12,13)
InChIKey
KULNOANNPOGHQK-UHFFFAOYSA-N
Compound name
2-(2-hydroxyethylamino)benzoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

7
References

19
Patents

181.0739 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.081176 137.1
[M+Na]+ 204.063118 143.5
[M-H]- 180.066624 138.1
[M+NH4]+ 199.107723 155.3
[M+K]+ 220.037058 141.2
[M+H-H2O]+ 164.071160 131.3
[M+HCOO]- 226.072101 159.5
[M+CH3COO]- 240.087751 178.3
[M+Na-2H]- 202.048566 142.6
[M]+ 181.07335142 135.8
[M]- 181.07444858 135.8
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