CID 12209635

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

Structural Information

Molecular Formula

C₇H₁₃N₃

SMILES

CCCCC1=CC(=NN1)N

InChI

InChI=1S/C7H13N3/c1-2-3-4-6-5-7(8)10-9-6/h5H,2-4H2,1H3,(H3,8,9,10)

InChIKey

KLEIWKYPWDZGCV-UHFFFAOYSA-N

Compound name

5-butyl-1H-pyrazol-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 47
Patents: 139.11095 Da
Monoisotopic Mass: 1.6
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]+	140.118226	130.1
[M+Na]+	162.100168	138.0
[M-H]-	138.103674	129.4
[M+NH4]+	157.144773	150.0
[M+K]+	178.074108	135.4
[M+H-H2O]+	122.108210	123.2
[M+HCOO]-	184.109151	152.4
[M+CH3COO]-	198.124801	173.4
[M+Na-2H]-	160.085616	135.1
[M]+	139.11040142	127.8
[M]-	139.11149858	127.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe