CID 19616598

1006458-47-4

Structural Information

Molecular Formula

C₆H₁₁N₃

SMILES

CC1=CN(N=C1)CCN

InChI

InChI=1S/C6H11N3/c1-6-4-8-9(5-6)3-2-7/h4-5H,2-3,7H2,1H3

InChIKey

NCMDCWBSYIDNHM-UHFFFAOYSA-N

Compound name

2-(4-methylpyrazol-1-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 36
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	124.9
[M+Na]+	148.08452	133.6
[M-H]-	124.08802	125.7
[M+NH4]+	143.12912	146.0
[M+K]+	164.05846	132.2
[M+H-H2O]+	108.09256	117.9
[M+HCOO]-	170.09350	149.0
[M+CH3COO]-	184.10915	173.0
[M+Na-2H]-	146.06997	131.0
[M]+	125.09475	124.1
[M]-	125.09585	124.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe