CID 82692249

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

Structural Information

Molecular Formula

C₇H₁₃N₃

SMILES

CCC1=C(C(=NN1)CC)N

InChI

InChI=1S/C7H13N3/c1-3-5-7(8)6(4-2)10-9-5/h3-4,8H2,1-2H3,(H,9,10)

InChIKey

IMBJNOJXJVXFSE-UHFFFAOYSA-N

Compound name

3,5-diethyl-1H-pyrazol-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 43
Patents: 139.11095 Da
Monoisotopic Mass: 1.2
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	129.7
[M+Na]+	162.10017	140.2
[M+NH4]+	157.14477	137.2
[M+K]+	178.07411	136.7
[M-H]-	138.10367	130.1
[M+Na-2H]-	160.08562	134.3
[M]+	139.11040	131.0
[M]-	139.11150	131.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe