CID 2758501

685892-22-2

Structural Information

Molecular Formula

C₈H₁₆N₄

SMILES

CC1=NN(C(=C1)N)CCN(C)C

InChI

InChI=1S/C8H16N4/c1-7-6-8(9)12(10-7)5-4-11(2)3/h6H,4-5,9H2,1-3H3

InChIKey

RSFHAOJRAMLILZ-UHFFFAOYSA-N

Compound name

2-[2-(dimethylamino)ethyl]-5-methylpyrazol-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 30
Patents: 168.1375 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]+	169.144776	138.0
[M+Na]+	191.126718	146.0
[M-H]-	167.130224	140.4
[M+NH4]+	186.171323	158.0
[M+K]+	207.100658	145.4
[M+H-H2O]+	151.134760	130.3
[M+HCOO]-	213.135701	162.9
[M+CH3COO]-	227.151351	188.6
[M+Na-2H]-	189.112166	141.9
[M]+	168.13695142	138.8
[M]-	168.13804858	138.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe