CID 91890

56488-00-7

Structural Information

Molecular Formula

C₉H₁₂N₄

SMILES

C1CCN(CC1)C(=NC#N)CC#N

InChI

InChI=1S/C9H12N4/c10-5-4-9(12-8-11)13-6-2-1-3-7-13/h1-4,6-7H2

InChIKey

CXAPGRNCBJXCEF-UHFFFAOYSA-N

Compound name

(2-cyano-1-piperidin-1-ylethylidene)cyanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 176.1062 Da
Monoisotopic Mass: 0.8
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]+	177.11348	172.2
[M+Na]+	199.09542	179.0
[M+NH4]+	194.14002	172.7
[M+K]+	215.06936	168.4
[M-H]-	175.09892	162.2
[M+Na-2H]-	197.08087	170.4
[M]+	176.10565	168.9
[M]-	176.10675	168.9

Literature stripe

literature stripe

Patent stripe

patents stripe