CID 44442

63273-74-5

Structural Information

Molecular Formula

C₁₀H₁₅N₃O₂

SMILES

C1=CC=C(C=C1)OCC(CN=C(N)N)O

InChI

InChI=1S/C10H15N3O2/c11-10(12)13-6-8(14)7-15-9-4-2-1-3-5-9/h1-5,8,14H,6-7H2,(H4,11,12,13)

InChIKey

FBLMATCLHCXNCQ-UHFFFAOYSA-N

Compound name

2-(2-hydroxy-3-phenoxypropyl)guanidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 209.11642 Da
Monoisotopic Mass: -0.3
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]+	210.12370	146.3
[M+Na]+	232.10564	150.4
[M-H]-	208.10914	148.5
[M+NH4]+	227.15024	163.2
[M+K]+	248.07958	148.9
[M+H-H2O]+	192.11368	138.9
[M+HCOO]-	254.11462	171.0
[M+CH3COO]-	268.13027	192.5
[M+Na-2H]-	230.09109	150.2
[M]+	209.11587	143.0
[M]-	209.11697	143.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe