CID 106576

3-aminomethylpinane

Structural Information

Molecular Formula

C₁₁H₂₁N

SMILES

CC1C(CC2CC1C2(C)C)CN

InChI

InChI=1S/C11H21N/c1-7-8(6-12)4-9-5-10(7)11(9,2)3/h7-10H,4-6,12H2,1-3H3

InChIKey

MUOITVAMHSVXLO-UHFFFAOYSA-N

Compound name

(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)methanamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 164
Patents: 167.1674 Da
Monoisotopic Mass: 2.5
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]+	168.17468	152.7
[M+Na]+	190.15662	158.1
[M-H]-	166.16012	151.7
[M+NH4]+	185.20122	173.0
[M+K]+	206.13056	158.6
[M+H-H2O]+	150.16466	144.5
[M+HCOO]-	212.16560	165.7
[M+CH3COO]-	226.18125	192.8
[M+Na-2H]-	188.14207	159.7
[M]+	167.16685	162.1
[M]-	167.16795	162.1

Literature stripe

literature stripe

Patent stripe

patents stripe