CID 161603

1,3,5-trimethyl-1h-pyrazol-4-amine

Structural Information

Molecular Formula

C₆H₁₁N₃

SMILES

CC1=C(C(=NN1C)C)N

InChI

InChI=1S/C6H11N3/c1-4-6(7)5(2)9(3)8-4/h7H2,1-3H3

InChIKey

SSDGMKHZMNTWLS-UHFFFAOYSA-N

Compound name

1,3,5-trimethylpyrazol-4-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 502
Patents: 125.0953 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]+	126.10258	124.9
[M+Na]+	148.08452	136.5
[M+NH4]+	143.12912	132.9
[M+K]+	164.05846	133.2
[M-H]-	124.08802	125.9
[M+Na-2H]-	146.06997	130.1
[M]+	125.09475	126.6
[M]-	125.09585	126.6

Literature stripe

literature stripe

Patent stripe

patents stripe