CID 90878

23074-42-2

Structural Information

Molecular Formula

C₁₁H₁₅N

SMILES

C1C2CC3CC1CC(C2)(C3)C#N

InChI

InChI=1S/C11H15N/c12-7-11-4-8-1-9(5-11)3-10(2-8)6-11/h8-10H,1-6H2

InChIKey

FQFZASRJFRAEIH-UHFFFAOYSA-N

Compound name

adamantane-1-carbonitrile

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 17
References: 323
Patents: 161.12045 Da
Monoisotopic Mass: 2.6
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]+	162.127726	138.8
[M+Na]+	184.109668	146.8
[M-H]-	160.113174	136.4
[M+NH4]+	179.154273	164.4
[M+K]+	200.083608	136.6
[M+H-H2O]+	144.117710	128.5
[M+HCOO]-	206.118651	145.6
[M+CH3COO]-	220.134301	148.3
[M+Na-2H]-	182.095116	150.1
[M]+	161.11990142	133.8
[M]-	161.12099858	133.8

Literature stripe

literature stripe

Patent stripe

patents stripe