CID 15413224

199340-99-3

Structural Information

Molecular Formula

C₄H₈N₄

SMILES

CC1=C(C(=NN1)N)N

InChI

InChI=1S/C4H8N4/c1-2-3(5)4(6)8-7-2/h5H2,1H3,(H3,6,7,8)

InChIKey

CERNMDUMVTYODE-UHFFFAOYSA-N

Compound name

5-methyl-1H-pyrazole-3,4-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 438
Patents: 112.0749 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]+	113.08218	120.5
[M+Na]+	135.06412	129.8
[M-H]-	111.06762	120.2
[M+NH4]+	130.10872	141.1
[M+K]+	151.03806	127.4
[M+H-H2O]+	95.072160	114.0
[M+HCOO]-	157.07310	144.1
[M+CH3COO]-	171.08875	169.9
[M+Na-2H]-	133.04957	125.7
[M]+	112.07435	115.7
[M]-	112.07545	115.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe