CID 33619

26831-44-7

Structural Information

Molecular Formula

C₁₄H₂₅N

SMILES

CCNCCC12CC3CC(C1)CC(C3)C2

InChI

InChI=1S/C14H25N/c1-2-15-4-3-14-8-11-5-12(9-14)7-13(6-11)10-14/h11-13,15H,2-10H2,1H3

InChIKey

QZKOOZQAALGEBR-UHFFFAOYSA-N

Compound name

2-(1-adamantyl)-N-ethylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 34
Patents: 207.1987 Da
Monoisotopic Mass: 4.0
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	151.2
[M+Na]+	230.18792	152.0
[M-H]-	206.19142	146.1
[M+NH4]+	225.23252	176.7
[M+K]+	246.16186	148.4
[M+H-H2O]+	190.19596	144.7
[M+HCOO]-	252.19690	158.9
[M+CH3COO]-	266.21255	159.3
[M+Na-2H]-	228.17337	161.7
[M]+	207.19815	150.4
[M]-	207.19925	150.4

Literature stripe

literature stripe

Patent stripe

patents stripe