CID 2384519

81099-47-0

Structural Information

Molecular Formula

C₁₃H₂₀N₂

SMILES

C1C2CC3CC1CC(C2)(C3)NCCC#N

InChI

InChI=1S/C13H20N2/c14-2-1-3-15-13-7-10-4-11(8-13)6-12(5-10)9-13/h10-12,15H,1,3-9H2

InChIKey

DRROTNRHCXFLBA-UHFFFAOYSA-N

Compound name

3-(1-adamantylamino)propanenitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 0
Patents: 204.16264 Da
Monoisotopic Mass: 2.7
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]+	205.16992	149.2
[M+Na]+	227.15186	155.5
[M-H]-	203.15536	145.9
[M+NH4]+	222.19646	172.8
[M+K]+	243.12580	145.3
[M+H-H2O]+	187.15990	138.4
[M+HCOO]-	249.16084	156.0
[M+CH3COO]-	263.17649	157.3
[M+Na-2H]-	225.13731	159.9
[M]+	204.16209	144.1
[M]-	204.16319	144.1

Literature stripe

literature stripe

Patent stripe

patents stripe