CID 97525

3,5-dimethyl-1h-pyrazole-1-carboxamidine mononitrate

Structural Information

Molecular Formula

C₆H₁₀N₄

SMILES

CC1=CC(=NN1C(=N)N)C

InChI

InChI=1S/C6H10N4/c1-4-3-5(2)10(9-4)6(7)8/h3H,1-2H3,(H3,7,8)

InChIKey

GAZRNXIMWKZADY-UHFFFAOYSA-N

Compound name

3,5-dimethylpyrazole-1-carboximidamide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 9
References: 2216
Patents: 138.09055 Da
Monoisotopic Mass: 0.4
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]+	139.097826	128.8
[M+Na]+	161.079768	137.7
[M-H]-	137.083274	130.2
[M+NH4]+	156.124373	149.3
[M+K]+	177.053708	136.0
[M+H-H2O]+	121.087810	121.8
[M+HCOO]-	183.088751	153.1
[M+CH3COO]-	197.104401	178.4
[M+Na-2H]-	159.065216	133.2
[M]+	138.09000142	126.1
[M]-	138.09109858	126.1

Literature stripe

literature stripe

Patent stripe

patents stripe