CID 3010137

Oprea1_744808

Structural Information

Molecular Formula

C₁₃H₂₃N

SMILES

CN(C)CC12CC3CC(C1)CC(C3)C2

InChI

InChI=1S/C13H23N/c1-14(2)9-13-6-10-3-11(7-13)5-12(4-10)8-13/h10-12H,3-9H2,1-2H3

InChIKey

MVYBXAPKYZVQTR-UHFFFAOYSA-N

Compound name

1-(1-adamantyl)-N,N-dimethylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 12
Patents: 193.18304 Da
Monoisotopic Mass: 3.2
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]+	194.19032	147.7
[M+Na]+	216.17226	148.8
[M-H]-	192.17576	144.1
[M+NH4]+	211.21686	174.3
[M+K]+	232.14620	146.7
[M+H-H2O]+	176.18030	141.2
[M+HCOO]-	238.18124	156.1
[M+CH3COO]-	252.19689	156.7
[M+Na-2H]-	214.15771	157.8
[M]+	193.18249	147.5
[M]-	193.18359	147.5

Literature stripe

literature stripe

Patent stripe

patents stripe