CID 84731133

2-(4-ethyl-1h-pyrazol-1-yl)ethan-1-amine

Structural Information

Molecular Formula

C₇H₁₃N₃

SMILES

CCC1=CN(N=C1)CCN

InChI

InChI=1S/C7H13N3/c1-2-7-5-9-10(6-7)4-3-8/h5-6H,2-4,8H2,1H3

InChIKey

YCNZJCSZSWNVHU-UHFFFAOYSA-N

Compound name

2-(4-ethylpyrazol-1-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 139.11095 Da
Monoisotopic Mass: 0.0
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]+	140.11823	129.5
[M+Na]+	162.10017	140.1
[M+NH4]+	157.14477	137.3
[M+K]+	178.07411	136.1
[M-H]-	138.10367	130.3
[M+Na-2H]-	160.08562	134.9
[M]+	139.11040	130.9
[M]-	139.11150	130.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe