CID 3051340

67427-59-2

Structural Information

Molecular Formula

C₁₀H₁₆N₄O

SMILES

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

InChI

InChI=1S/C10H16N4O/c11-10(12)14-7-9(15)6-13-8-4-2-1-3-5-8/h1-5,9,13,15H,6-7H2,(H4,11,12,14)

InChIKey

JRJZBOJPMHNJQD-UHFFFAOYSA-N

Compound name

2-(3-anilino-2-hydroxypropyl)guanidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 208.13242 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]+	209.139696	146.1
[M+Na]+	231.121638	149.4
[M-H]-	207.125144	148.3
[M+NH4]+	226.166243	162.7
[M+K]+	247.095578	147.5
[M+H-H2O]+	191.129680	138.4
[M+HCOO]-	253.130621	171.5
[M+CH3COO]-	267.146271	195.7
[M+Na-2H]-	229.107086	150.4
[M]+	208.13187142	140.6
[M]-	208.13296858	140.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.