CID 19620838

1432027-55-8

Structural Information

Molecular Formula

C₈H₁₅N₃

SMILES

CCCN1C=C(C=N1)C(C)N

InChI

InChI=1S/C8H15N3/c1-3-4-11-6-8(5-10-11)7(2)9/h5-7H,3-4,9H2,1-2H3

InChIKey

XGMSGYTVBJMBLW-UHFFFAOYSA-N

Compound name

1-(1-propylpyrazol-4-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 153.1266 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]+	154.13388	134.3
[M+Na]+	176.11582	144.3
[M+NH4]+	171.16042	141.8
[M+K]+	192.08976	140.9
[M-H]-	152.11932	134.9
[M+Na-2H]-	174.10127	139.1
[M]+	153.12605	135.6
[M]-	153.12715	135.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.