CID 20222885

Schembl1069856

Structural Information

Molecular Formula

C₁₁H₂₁N

SMILES

CC1(C2CCC(C1C2)(C)CN)C

InChI

InChI=1S/C11H21N/c1-10(2)8-4-5-11(3,7-12)9(10)6-8/h8-9H,4-7,12H2,1-3H3

InChIKey

NKOAXFJPHBJQSO-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 44
Patents: 167.1674 Da
Monoisotopic Mass: 2.6
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]+	168.174676	154.2
[M+Na]+	190.156618	159.9
[M-H]-	166.160124	153.3
[M+NH4]+	185.201223	176.2
[M+K]+	206.130558	160.0
[M+H-H2O]+	150.164660	146.4
[M+HCOO]-	212.165601	167.1
[M+CH3COO]-	226.181251	191.4
[M+Na-2H]-	188.142066	162.6
[M]+	167.16685142	163.6
[M]-	167.16794858	163.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe