CID 3050788

67026-99-7

Structural Information

Molecular Formula

C₁₂H₁₆N₄O

SMILES

CC(C)(C)N=C(NC#N)NC1=CC=C(C=C1)O

InChI

InChI=1S/C12H16N4O/c1-12(2,3)16-11(14-8-13)15-9-4-6-10(17)7-5-9/h4-7,17H,1-3H3,(H2,14,15,16)

InChIKey

YHIXHBTUOUGQOV-UHFFFAOYSA-N

Compound name

2-tert-butyl-1-cyano-3-(4-hydroxyphenyl)guanidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 232.13242 Da
Monoisotopic Mass: 2.2
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]+	233.13970	161.4
[M+Na]+	255.12164	168.2
[M-H]-	231.12514	164.3
[M+NH4]+	250.16624	176.5
[M+K]+	271.09558	166.1
[M+H-H2O]+	215.12968	148.1
[M+HCOO]-	277.13062	181.6
[M+CH3COO]-	291.14627	208.1
[M+Na-2H]-	253.10709	166.1
[M]+	232.13187	154.3
[M]-	232.13297	154.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.