CID 39459

(2-(o-cumenyloxy)ethyl)guanidine

Structural Information

Molecular Formula

C₁₂H₁₉N₃O

SMILES

CC(C)C1=CC=CC=C1OCCN=C(N)N

InChI

InChI=1S/C12H19N3O/c1-9(2)10-5-3-4-6-11(10)16-8-7-15-12(13)14/h3-6,9H,7-8H2,1-2H3,(H4,13,14,15)

InChIKey

UYBTWXGXCNLIAH-UHFFFAOYSA-N

Compound name

2-[2-(2-propan-2-ylphenoxy)ethyl]guanidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 221.15282 Da
Monoisotopic Mass: 1.5
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]+	222.160096	153.0
[M+Na]+	244.142038	157.7
[M-H]-	220.145544	156.8
[M+NH4]+	239.186643	170.6
[M+K]+	260.115978	156.2
[M+H-H2O]+	204.150080	145.5
[M+HCOO]-	266.151021	178.3
[M+CH3COO]-	280.166671	200.0
[M+Na-2H]-	242.127486	155.6
[M]+	221.15227142	151.3
[M]-	221.15336858	151.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe