CID 511454

3-amino-4-homoisotwistane

Structural Information

Molecular Formula

C₁₁H₁₉N

SMILES

C1CC2CC3CCC2C(C1)(C3)N

InChI

InChI=1S/C11H19N/c12-11-5-1-2-9-6-8(7-11)3-4-10(9)11/h8-10H,1-7,12H2

InChIKey

HBQIEQAURBDCQB-UHFFFAOYSA-N

Compound name

tricyclo[5.3.1.03,8]undecan-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 47
Patents: 165.15175 Da
Monoisotopic Mass: 2.3
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]+	166.15903	135.3
[M+Na]+	188.14097	144.8
[M+NH4]+	183.18557	149.1
[M+K]+	204.11491	135.2
[M-H]-	164.14447	136.4
[M+Na-2H]-	186.12642	135.9
[M]+	165.15120	137.0
[M]-	165.15230	137.0

Literature stripe

literature stripe

Patent stripe

patents stripe