CID 2836008

Oprea1_070017

Structural Information

Molecular Formula

C₁₄H₂₅N

SMILES

CC(C12CC3CC(C1)CC(C3)C2)N(C)C

InChI

InChI=1S/C14H25N/c1-10(15(2)3)14-7-11-4-12(8-14)6-13(5-11)9-14/h10-13H,4-9H2,1-3H3

InChIKey

OOQVJPLFOITUKD-UHFFFAOYSA-N

Compound name

1-(1-adamantyl)-N,N-dimethylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 21
Patents: 207.1987 Da
Monoisotopic Mass: 3.6
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]+	208.20598	153.5
[M+Na]+	230.18792	153.8
[M-H]-	206.19142	149.6
[M+NH4]+	225.23252	179.4
[M+K]+	246.16186	151.9
[M+H-H2O]+	190.19596	147.1
[M+HCOO]-	252.19690	160.4
[M+CH3COO]-	266.21255	161.8
[M+Na-2H]-	228.17337	161.8
[M]+	207.19815	152.9
[M]-	207.19925	152.9

Literature stripe

literature stripe

Patent stripe

patents stripe