CID 156464

Bpc 151

Structural Information

Molecular Formula

C₈H₁₆N₆

SMILES

CC1=NN(C(C1)(C)C)C(=N)N=C(N)N

InChI

InChI=1S/C8H16N6/c1-5-4-8(2,3)14(13-5)7(11)12-6(9)10/h4H2,1-3H3,(H5,9,10,11,12)

InChIKey

IAZSIVLHDPDORN-UHFFFAOYSA-N

Compound name

N-(diaminomethylidene)-3,5,5-trimethyl-4H-pyrazole-1-carboximidamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 196.14365 Da
Monoisotopic Mass: -0.9
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]+	197.150926	143.6
[M+Na]+	219.132868	150.4
[M-H]-	195.136374	145.8
[M+NH4]+	214.177473	163.4
[M+K]+	235.106808	149.4
[M+H-H2O]+	179.140910	136.6
[M+HCOO]-	241.141851	168.0
[M+CH3COO]-	255.157501	195.4
[M+Na-2H]-	217.118316	146.6
[M]+	196.14310142	138.6
[M]-	196.14419858	138.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.