CID 206680

Pyrazole, 4-(diethylamino)-

Structural Information

Molecular Formula

C₇H₁₃N₃

SMILES

CCN(CC)C1=CNN=C1

InChI

InChI=1S/C7H13N3/c1-3-10(4-2)7-5-8-9-6-7/h5-6H,3-4H2,1-2H3,(H,8,9)

InChIKey

GDFXUNMNTXOVGI-UHFFFAOYSA-N

Compound name

N,N-diethyl-1H-pyrazol-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
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	130.0
[M+Na]+	162.10017	140.2
[M+NH4]+	157.14477	137.9
[M+K]+	178.07411	136.5
[M-H]-	138.10367	130.7
[M+Na-2H]-	160.08562	135.7
[M]+	139.11040	131.3
[M]-	139.11150	131.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe