CID 458708

2-[n-(2-hydroxyethyl)anilino]acetic acid

Structural Information

Molecular Formula
C10H13NO3
SMILES
C1=CC=C(C=C1)N(CCO)CC(=O)O
InChI
InChI=1S/C10H13NO3/c12-7-6-11(8-10(13)14)9-4-2-1-3-5-9/h1-5,12H,6-8H2,(H,13,14)
InChIKey
SPAZDZXTSLHKMV-UHFFFAOYSA-N
Compound name
2-[N-(2-hydroxyethyl)anilino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

195.08954 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.09682 142.0
[M+Na]+ 218.07876 147.3
[M-H]- 194.08226 144.0
[M+NH4]+ 213.12336 160.0
[M+K]+ 234.05270 146.1
[M+H-H2O]+ 178.08680 135.7
[M+HCOO]- 240.08774 164.6
[M+CH3COO]- 254.10339 183.5
[M+Na-2H]- 216.06421 147.0
[M]+ 195.08899 141.9
[M]- 195.09009 141.9
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

No patent data available for this compound.