CID 3010148

Oprea1_837577

Structural Information

Molecular Formula

C₁₂H₂₁N

SMILES

C1CC2(CC3CC1CC(C3)C2)CN

InChI

InChI=1S/C12H21N/c13-8-12-2-1-9-3-10(6-12)5-11(4-9)7-12/h9-11H,1-8,13H2

InChIKey

XUMLMNNWIQWFRF-UHFFFAOYSA-N

Compound name

3-tricyclo[4.3.1.13,8]undecanylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4
Patents: 179.1674 Da
Monoisotopic Mass: 2.7
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]+	180.17468	152.0
[M+Na]+	202.15662	158.7
[M-H]-	178.16012	152.6
[M+NH4]+	197.20122	175.3
[M+K]+	218.13056	152.4
[M+H-H2O]+	162.16466	152.8
[M+HCOO]-	224.16560	160.8
[M+CH3COO]-	238.18125	160.9
[M+Na-2H]-	200.14207	161.5
[M]+	179.16685	148.5
[M]-	179.16795	148.5

Literature stripe

literature stripe

Patent stripe

patents stripe