CID 62729330

1341419-93-9

Structural Information

Molecular Formula

C₈H₁₅N₃O

SMILES

CC(C1=CN(N=C1)CCOC)N

InChI

InChI=1S/C8H15N3O/c1-7(9)8-5-10-11(6-8)3-4-12-2/h5-7H,3-4,9H2,1-2H3

InChIKey

MQUMWJCJIIBENO-UHFFFAOYSA-N

Compound name

1-[1-(2-methoxyethyl)pyrazol-4-yl]ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 169.1215 Da
Monoisotopic Mass: -0.7
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]+	170.128776	137.7
[M+Na]+	192.110718	145.2
[M-H]-	168.114224	138.3
[M+NH4]+	187.155323	156.9
[M+K]+	208.084658	144.2
[M+H-H2O]+	152.118760	130.2
[M+HCOO]-	214.119701	160.3
[M+CH3COO]-	228.135351	181.9
[M+Na-2H]-	190.096166	141.4
[M]+	169.12095142	138.4
[M]-	169.12204858	138.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.