CID 3762483

1-(butan-2-yl)-1h-pyrazol-5-amine

Structural Information

Molecular Formula

C₇H₁₃N₃

SMILES

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

InChI

InChI=1S/C7H13N3/c1-3-6(2)10-7(8)4-5-9-10/h4-6H,3,8H2,1-2H3

InChIKey

KVXMAIZWDSEADI-UHFFFAOYSA-N

Compound name

2-butan-2-ylpyrazol-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 1
Patents: 139.11095 Da
Monoisotopic Mass: 1.1
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	130.2
[M+Na]+	162.10017	138.3
[M-H]-	138.10367	131.0
[M+NH4]+	157.14477	150.7
[M+K]+	178.07411	137.0
[M+H-H2O]+	122.10821	123.2
[M+HCOO]-	184.10915	153.0
[M+CH3COO]-	198.12480	176.9
[M+Na-2H]-	160.08562	134.5
[M]+	139.11040	129.1
[M]-	139.11150	129.1

Literature stripe

literature stripe

Patent stripe

patents stripe