CID 16099749

521300-03-8

Structural Information

Molecular Formula

C₇H₁₂N₄O

SMILES

CC(C)C1=C(C(=NN1)C(=O)N)N

InChI

InChI=1S/C7H12N4O/c1-3(2)5-4(8)6(7(9)12)11-10-5/h3H,8H2,1-2H3,(H2,9,12)(H,10,11)

InChIKey

NTTYFNYUOSGCLO-UHFFFAOYSA-N

Compound name

4-amino-5-propan-2-yl-1H-pyrazole-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 36
Patents: 168.1011 Da
Monoisotopic Mass: 0.5
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]+	169.10838	136.4
[M+Na]+	191.09032	144.1
[M+NH4]+	186.13492	142.1
[M+K]+	207.06426	143.4
[M-H]-	167.09382	135.7
[M+Na-2H]-	189.07577	138.9
[M]+	168.10055	136.6
[M]-	168.10165	136.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe