CID 6453090

Guanidine, (3,5-dimethyl-1h-pyrazol-1-yl)-, mononitrate

Structural Information

Molecular Formula

C₆H₁₁N₅

SMILES

CC1=CC(=NN1N=C(N)N)C

InChI

InChI=1S/C6H11N5/c1-4-3-5(2)11(9-4)10-6(7)8/h3H,1-2H3,(H4,7,8,10)

InChIKey

ATRCEYNJCBJGAZ-UHFFFAOYSA-N

Compound name

2-(3,5-dimethylpyrazol-1-yl)guanidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 153.10144 Da
Monoisotopic Mass: -0.1
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]+	154.10872	131.6
[M+Na]+	176.09066	140.1
[M+NH4]+	171.13526	138.4
[M+K]+	192.06460	138.2
[M-H]-	152.09416	132.9
[M+Na-2H]-	174.07611	136.1
[M]+	153.10089	132.6
[M]-	153.10199	132.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe