CID 12251378

1-methyl-3-(propan-2-yl)-1h-pyrazole

Structural Information

Molecular Formula

C₇H₁₂N₂

SMILES

CC(C)C1=NN(C=C1)C

InChI

InChI=1S/C7H12N2/c1-6(2)7-4-5-9(3)8-7/h4-6H,1-3H3

InChIKey

QOLDCHQHOOFRGQ-UHFFFAOYSA-N

Compound name

1-methyl-3-propan-2-ylpyrazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 982
Patents: 124.10005 Da
Monoisotopic Mass: 1.4
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]+	125.10733	126.0
[M+Na]+	147.08927	137.9
[M+NH4]+	142.13387	134.4
[M+K]+	163.06321	134.0
[M-H]-	123.09277	126.7
[M+Na-2H]-	145.07472	131.9
[M]+	124.09950	127.7
[M]-	124.10060	127.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe