CID 3050770

67026-68-0

Structural Information

Molecular Formula

C₁₂H₂₀N₆

SMILES

CC1=C(C(=NN1C)C)NC(=NC(C)(C)C)NC#N

InChI

InChI=1S/C12H20N6/c1-8-10(9(2)18(6)17-8)15-11(14-7-13)16-12(3,4)5/h1-6H3,(H2,14,15,16)

InChIKey

JLZZHJMUJGMFQT-UHFFFAOYSA-N

Compound name

2-tert-butyl-1-cyano-3-(1,3,5-trimethylpyrazol-4-yl)guanidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 248.17494 Da
Monoisotopic Mass: 1.7
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]+	249.18222	162.9
[M+Na]+	271.16416	170.8
[M-H]-	247.16766	164.7
[M+NH4]+	266.20876	177.6
[M+K]+	287.13810	169.8
[M+H-H2O]+	231.17220	147.9
[M+HCOO]-	293.17314	182.4
[M+CH3COO]-	307.18879	215.4
[M+Na-2H]-	269.14961	165.4
[M]+	248.17439	158.3
[M]-	248.17549	158.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.