CID 15801251

2,4-diamino-5-methylphenoxyethanol hydrochloride

Structural Information

Molecular Formula

C₉H₁₄N₂O₂

SMILES

CC1=CC(=C(C=C1N)N)OCCO

InChI

InChI=1S/C9H14N2O2/c1-6-4-9(13-3-2-12)8(11)5-7(6)10/h4-5,12H,2-3,10-11H2,1H3

InChIKey

ZFFAFXDAFACVBX-UHFFFAOYSA-N

Compound name

2-(2,4-diamino-5-methylphenoxy)ethanol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 2079
Patents: 182.10553 Da
Monoisotopic Mass: 0.2
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	138.9
[M+Na]+	205.09475	146.9
[M-H]-	181.09825	141.0
[M+NH4]+	200.13935	157.7
[M+K]+	221.06869	144.4
[M+H-H2O]+	165.10279	133.0
[M+HCOO]-	227.10373	163.1
[M+CH3COO]-	241.11938	185.1
[M+Na-2H]-	203.08020	142.8
[M]+	182.10498	137.4
[M]-	182.10608	137.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe