CID 3160221

956352-78-6

Structural Information

Molecular Formula

C₈H₁₅N₃

SMILES

CC1=CC(=NN1C(C)CN)C

InChI

InChI=1S/C8H15N3/c1-6-4-7(2)11(10-6)8(3)5-9/h4,8H,5,9H2,1-3H3

InChIKey

SZPITZCIPRYHOB-UHFFFAOYSA-N

Compound name

2-(3,5-dimethylpyrazol-1-yl)propan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 153.1266 Da
Monoisotopic Mass: 0.4
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	134.2
[M+Na]+	176.11582	144.7
[M+NH4]+	171.16042	141.8
[M+K]+	192.08976	141.5
[M-H]-	152.11932	134.9
[M+Na-2H]-	174.10127	138.8
[M]+	153.12605	135.6
[M]-	153.12715	135.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe