CID 21932464

Dtxsid30879807

Structural Information

Molecular Formula

C₉H₁₄N₂O₂

SMILES

CCN(CC1=C(C=CC(=C1)N)O)O

InChI

InChI=1S/C9H14N2O2/c1-2-11(13)6-7-5-8(10)3-4-9(7)12/h3-5,12-13H,2,6,10H2,1H3

InChIKey

PYTGNUSYXQPADV-UHFFFAOYSA-N

Compound name

4-amino-2-[[ethyl(hydroxy)amino]methyl]phenol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 375
Patents: 182.10553 Da
Monoisotopic Mass: 0.6
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]+	183.11281	139.1
[M+Na]+	205.09475	145.9
[M-H]-	181.09825	141.4
[M+NH4]+	200.13935	157.8
[M+K]+	221.06869	144.2
[M+H-H2O]+	165.10279	133.1
[M+HCOO]-	227.10373	163.0
[M+CH3COO]-	241.11938	185.3
[M+Na-2H]-	203.08020	143.6
[M]+	182.10498	137.6
[M]-	182.10608	137.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe