CID 181729

42194-25-2

Structural Information

Molecular Formula

C₁₃H₂₃N

SMILES

CC12CC3(CC(C1)(CC(C2)(C3)N)C)C

InChI

InChI=1S/C13H23N/c1-10-4-11(2)6-12(3,5-10)9-13(14,7-10)8-11/h4-9,14H2,1-3H3

InChIKey

XOEUSMBMGXZZJL-UHFFFAOYSA-N

Compound name

3,5,7-trimethyladamantan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 172
Patents: 193.18304 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]+	194.19032	151.3
[M+Na]+	216.17226	156.6
[M-H]-	192.17576	147.1
[M+NH4]+	211.21686	182.8
[M+K]+	232.14620	152.1
[M+H-H2O]+	176.18030	144.2
[M+HCOO]-	238.18124	158.4
[M+CH3COO]-	252.19689	160.7
[M+Na-2H]-	214.15771	163.3
[M]+	193.18249	150.6
[M]-	193.18359	150.6

Literature stripe

literature stripe

Patent stripe

patents stripe