CID 14221139

123193-99-7

Structural Information

Molecular Formula

C₈H₁₄N₂

SMILES

C1CCCC(CC1)(C#N)N

InChI

InChI=1S/C8H14N2/c9-7-8(10)5-3-1-2-4-6-8/h1-6,10H2

InChIKey

DLMLXRYNXPKPII-UHFFFAOYSA-N

Compound name

1-aminocycloheptane-1-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 138.11569 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]+	139.12297	128.3
[M+Na]+	161.10491	134.0
[M-H]-	137.10841	131.8
[M+NH4]+	156.14951	147.4
[M+K]+	177.07885	134.7
[M+H-H2O]+	121.11295	117.4
[M+HCOO]-	183.11389	145.3
[M+CH3COO]-	197.12954	189.1
[M+Na-2H]-	159.09036	133.7
[M]+	138.11514	115.5
[M]-	138.11624	115.5

Literature stripe

literature stripe

Patent stripe

patents stripe