CID 3056723

73826-25-2

Structural Information

Molecular Formula

C₉H₁₂N₂O₃

SMILES

C1=CC(=CC(=C1)O)CC(C(=O)O)NN

InChI

InChI=1S/C9H12N2O3/c10-11-8(9(13)14)5-6-2-1-3-7(12)4-6/h1-4,8,11-12H,5,10H2,(H,13,14)

InChIKey

VZTVXBCFJGOJEN-UHFFFAOYSA-N

Compound name

2-hydrazinyl-3-(3-hydroxyphenyl)propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 196.0848 Da
Monoisotopic Mass: -2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	197.09208	141.6
[M+Na]+	219.07402	146.8
[M-H]-	195.07752	142.1
[M+NH4]+	214.11862	158.3
[M+K]+	235.04796	144.8
[M+H-H2O]+	179.08206	135.3
[M+HCOO]-	241.08300	163.3
[M+CH3COO]-	255.09865	184.0
[M+Na-2H]-	217.05947	145.0
[M]+	196.08425	137.8
[M]-	196.08535	137.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe