CID 4962849

956780-06-6

Structural Information

Molecular Formula

C₁₄H₁₉N₃

SMILES

CC(C)(C)C1=CC=C(C=C1)CN2C(=CC=N2)N

InChI

InChI=1S/C14H19N3/c1-14(2,3)12-6-4-11(5-7-12)10-17-13(15)8-9-16-17/h4-9H,10,15H2,1-3H3

InChIKey

AVDQVRFFOMTZJH-UHFFFAOYSA-N

Compound name

2-[(4-tert-butylphenyl)methyl]pyrazol-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 229.1579 Da
Monoisotopic Mass: 3.2
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]+	230.165176	155.2
[M+Na]+	252.147118	163.4
[M-H]-	228.150624	159.3
[M+NH4]+	247.191723	172.3
[M+K]+	268.121058	159.4
[M+H-H2O]+	212.155160	147.3
[M+HCOO]-	274.156101	176.6
[M+CH3COO]-	288.171751	193.4
[M+Na-2H]-	250.132566	159.5
[M]+	229.15735142	154.7
[M]-	229.15844858	154.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe