CID 19621814

N-(2-aminoethyl)-1h-pyrazole-5-carboxamide hydrochloride

Structural Information

Molecular Formula

C₆H₁₀N₄O

SMILES

C1=C(NN=C1)C(=O)NCCN

InChI

InChI=1S/C6H10N4O/c7-2-4-8-6(11)5-1-3-9-10-5/h1,3H,2,4,7H2,(H,8,11)(H,9,10)

InChIKey

XSFIHYAUOWUPMB-UHFFFAOYSA-N

Compound name

N-(2-aminoethyl)-1H-pyrazole-5-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 154.08546 Da
Monoisotopic Mass: -1.1
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]+	155.092736	131.3
[M+Na]+	177.074678	137.7
[M-H]-	153.078184	130.5
[M+NH4]+	172.119283	149.6
[M+K]+	193.048618	135.7
[M+H-H2O]+	137.082720	123.6
[M+HCOO]-	199.083661	154.3
[M+CH3COO]-	213.099311	175.6
[M+Na-2H]-	175.060126	136.8
[M]+	154.08491142	127.4
[M]-	154.08600858	127.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe