CID 7019426

1-methyl-5-[(methylamino)methyl]pyrazole

Structural Information

Molecular Formula

C₆H₁₁N₃

SMILES

CNCC1=CC=NN1C

InChI

InChI=1S/C6H11N3/c1-7-5-6-3-4-8-9(6)2/h3-4,7H,5H2,1-2H3

InChIKey

CHGIPIYKGPNYKT-UHFFFAOYSA-N

Compound name

N-methyl-1-(2-methylpyrazol-3-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 72
Patents: 125.0953 Da
Monoisotopic Mass: -0.4
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]+	126.10258	124.6
[M+Na]+	148.08452	133.3
[M-H]-	124.08802	125.9
[M+NH4]+	143.12912	146.0
[M+K]+	164.05846	132.2
[M+H-H2O]+	108.09256	117.6
[M+HCOO]-	170.09350	149.3
[M+CH3COO]-	184.10915	173.7
[M+Na-2H]-	146.06997	131.7
[M]+	125.09475	124.8
[M]-	125.09585	124.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe