CID 2728804

Maybridge4_003499

Structural Information

Molecular Formula

C₁₄H₁₉N₃O₂

SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)NC(=O)CC#N

InChI

InChI=1S/C14H19N3O2/c15-2-1-12(18)16-13(19)17-14-6-9-3-10(7-14)5-11(4-9)8-14/h9-11H,1,3-8H2,(H2,16,17,18,19)

InChIKey

KFASMUXDSGGBAM-UHFFFAOYSA-N

Compound name

N-(1-adamantylcarbamoyl)-2-cyanoacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 0
Patents: 261.14774 Da
Monoisotopic Mass: 2.3
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]+	262.155016	163.8
[M+Na]+	284.136958	168.5
[M-H]-	260.140464	159.7
[M+NH4]+	279.181563	184.6
[M+K]+	300.110898	159.8
[M+H-H2O]+	244.145000	153.3
[M+HCOO]-	306.145941	169.6
[M+CH3COO]-	320.161591	170.3
[M+Na-2H]-	282.122406	172.7
[M]+	261.14719142	158.4
[M]-	261.14828858	158.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.