CID 55290608

1,5-dimethyl-4,5-dihydro-1h-pyrazol-3-amine hydrochloride

Structural Information

Molecular Formula

C₅H₁₁N₃

SMILES

CC1CC(=NN1C)N

InChI

InChI=1S/C5H11N3/c1-4-3-5(6)7-8(4)2/h4H,3H2,1-2H3,(H2,6,7)

InChIKey

SZYPHRBTGRTOCZ-UHFFFAOYSA-N

Compound name

2,3-dimethyl-3,4-dihydropyrazol-5-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 113.0953 Da
Monoisotopic Mass: -0.2
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]+	114.10258	122.4
[M+Na]+	136.08452	131.5
[M-H]-	112.08802	123.4
[M+NH4]+	131.12912	144.3
[M+K]+	152.05846	130.5
[M+H-H2O]+	96.092560	116.0
[M+HCOO]-	158.09350	145.3
[M+CH3COO]-	172.10915	171.4
[M+Na-2H]-	134.06997	127.2
[M]+	113.09475	120.1
[M]-	113.09585	120.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe