CID 206692

Brn 0606961

Structural Information

Molecular Formula

C₈H₁₅N₃

SMILES

CC1=C(C(=NN1C)C)N(C)C

InChI

InChI=1S/C8H15N3/c1-6-8(10(3)4)7(2)11(5)9-6/h1-5H3

InChIKey

STGDORVUQNYVIR-UHFFFAOYSA-N

Compound name

N,N,1,3,5-pentamethylpyrazol-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 153.1266 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]+	154.133876	132.8
[M+Na]+	176.115818	142.8
[M-H]-	152.119324	136.1
[M+NH4]+	171.160423	154.4
[M+K]+	192.089758	142.5
[M+H-H2O]+	136.123860	126.1
[M+HCOO]-	198.124801	157.4
[M+CH3COO]-	212.140451	185.6
[M+Na-2H]-	174.101266	136.8
[M]+	153.12605142	135.8
[M]-	153.12714858	135.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe