CID 4962657

103184-16-3

Structural Information

Molecular Formula

C₈H₁₁N₅O

SMILES

C1COCCN1C2=NNC(=C2C#N)N

InChI

InChI=1S/C8H11N5O/c9-5-6-7(10)11-12-8(6)13-1-3-14-4-2-13/h1-4H2,(H3,10,11,12)

InChIKey

GBLMKEBHZNMGPD-UHFFFAOYSA-N

Compound name

5-amino-3-morpholin-4-yl-1H-pyrazole-4-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 32
Patents: 193.09636 Da
Monoisotopic Mass: 0.2
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]+	194.10364	137.9
[M+Na]+	216.08558	146.0
[M-H]-	192.08908	137.6
[M+NH4]+	211.13018	150.3
[M+K]+	232.05952	143.3
[M+H-H2O]+	176.09362	122.0
[M+HCOO]-	238.09456	151.4
[M+CH3COO]-	252.11021	147.4
[M+Na-2H]-	214.07103	141.4
[M]+	193.09581	127.2
[M]-	193.09691	127.2

Literature stripe

literature stripe

Patent stripe

patents stripe