CID 19619868

1-sec-butyl-3-methyl-1h-pyrazol-5-amine

Structural Information

Molecular Formula

C₈H₁₅N₃

SMILES

CCC(C)N1C(=CC(=N1)C)N

InChI

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

InChIKey

HTSBOHCPDGPFAJ-UHFFFAOYSA-N

Compound name

2-butan-2-yl-5-methylpyrazol-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 153.1266 Da
Monoisotopic Mass: 1.5
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	134.6
[M+Na]+	176.11582	143.2
[M-H]-	152.11932	135.7
[M+NH4]+	171.16042	154.9
[M+K]+	192.08976	141.7
[M+H-H2O]+	136.12386	127.8
[M+HCOO]-	198.12480	157.1
[M+CH3COO]-	212.14045	181.0
[M+Na-2H]-	174.10127	137.7
[M]+	153.12605	134.3
[M]-	153.12715	134.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe