CID 650797

423176-38-9

Structural Information

Molecular Formula

C₇H₁₃N₃

SMILES

CC1=C(C(=NN1)C)CCN

InChI

InChI=1S/C7H13N3/c1-5-7(3-4-8)6(2)10-9-5/h3-4,8H2,1-2H3,(H,9,10)

InChIKey

MBQAPXFDQYOMRE-UHFFFAOYSA-N

Compound name

2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 43
Patents: 139.11095 Da
Monoisotopic Mass: 0.3
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]+	140.118226	130.3
[M+Na]+	162.100168	139.1
[M-H]-	138.103674	129.9
[M+NH4]+	157.144773	150.5
[M+K]+	178.074108	136.5
[M+H-H2O]+	122.108210	123.7
[M+HCOO]-	184.109151	152.5
[M+CH3COO]-	198.124801	174.5
[M+Na-2H]-	160.085616	134.5
[M]+	139.11040142	128.3
[M]-	139.11149858	128.3

Literature stripe

literature stripe

Patent stripe

patents stripe