CID 35996

31897-97-9

Structural Information

Molecular Formula

C₁₃H₂₃N

SMILES

CNCCC12CC3CC(C1)CC(C3)C2

InChI

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

InChIKey

QPHKFMOPPHRCKW-UHFFFAOYSA-N

Compound name

2-(1-adamantyl)-N-methylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 50
Patents: 193.18304 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]+	194.19032	146.6
[M+Na]+	216.17226	147.9
[M-H]-	192.17576	141.8
[M+NH4]+	211.21686	172.7
[M+K]+	232.14620	144.5
[M+H-H2O]+	176.18030	140.4
[M+HCOO]-	238.18124	154.7
[M+CH3COO]-	252.19689	155.2
[M+Na-2H]-	214.15771	157.7
[M]+	193.18249	145.5
[M]-	193.18359	145.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe