CID 2834552

352444-60-1

Structural Information

Molecular Formula

C₁₄H₂₅N

SMILES

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

InChI

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

InChIKey

OOWLVAALHKQYIB-UHFFFAOYSA-N

Compound name

1-(3,5-dimethyl-1-adamantyl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 207.1987 Da
Monoisotopic Mass: 3.4
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	156.6
[M+Na]+	230.18792	159.7
[M-H]-	206.19142	151.7
[M+NH4]+	225.23252	185.6
[M+K]+	246.16186	155.8
[M+H-H2O]+	190.19596	150.0
[M+HCOO]-	252.19690	162.3
[M+CH3COO]-	266.21255	164.9
[M+Na-2H]-	228.17337	166.1
[M]+	207.19815	155.0
[M]-	207.19925	155.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe