CID 10176830

1340588-49-9

Structural Information

Molecular Formula

C₁₁H₁₆N₄O

SMILES

C1COCCN1C2=CC=C(C=C2)N=C(N)N

InChI

InChI=1S/C11H16N4O/c12-11(13)14-9-1-3-10(4-2-9)15-5-7-16-8-6-15/h1-4H,5-8H2,(H4,12,13,14)

InChIKey

ZVZJREQBRCRGLM-UHFFFAOYSA-N

Compound name

2-(4-morpholin-4-ylphenyl)guanidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 67
Patents: 220.13242 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]+	221.13970	150.3
[M+Na]+	243.12164	154.2
[M-H]-	219.12514	155.9
[M+NH4]+	238.16624	164.7
[M+K]+	259.09558	152.8
[M+H-H2O]+	203.12968	141.3
[M+HCOO]-	265.13062	171.9
[M+CH3COO]-	279.14627	195.6
[M+Na-2H]-	241.10709	155.5
[M]+	220.13187	143.4
[M]-	220.13297	143.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe