CID 9588010

66751-73-3

Structural Information

Molecular Formula

C₁₃H₂₀N₄O₂

SMILES

CCOC(=O)C1=C(NN=C1)/N=C/2\CCCCCN2C

InChI

InChI=1S/C13H20N4O2/c1-3-19-13(18)10-9-14-16-12(10)15-11-7-5-4-6-8-17(11)2/h9H,3-8H2,1-2H3,(H,14,16)/b15-11+

InChIKey

LERMRYMEQCLIQY-RVDMUPIBSA-N

Compound name

ethyl 5-[(E)-(1-methylazepan-2-ylidene)amino]-1H-pyrazole-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 264.15863 Da
Monoisotopic Mass: 1.2
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]+	265.165906	160.4
[M+Na]+	287.147848	164.2
[M-H]-	263.151354	163.8
[M+NH4]+	282.192453	173.2
[M+K]+	303.121788	165.7
[M+H-H2O]+	247.155890	149.6
[M+HCOO]-	309.156831	177.9
[M+CH3COO]-	323.172481	198.2
[M+Na-2H]-	285.133296	161.1
[M]+	264.15808142	154.9
[M]-	264.15917858	154.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.