CID 20618

Thancat an 10

Structural Information

Molecular Formula

C₇H₁₃N

SMILES

CN1CC2CCC1C2

InChI

InChI=1S/C7H13N/c1-8-5-6-2-3-7(8)4-6/h6-7H,2-5H2,1H3

InChIKey

LLAMAEIOZLEXMF-UHFFFAOYSA-N

Compound name

2-methyl-2-azabicyclo[2.2.1]heptane

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 2
References: 645
Patents: 111.1048 Da
Monoisotopic Mass: 1.2
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]+	112.112076	124.5
[M+Na]+	134.094018	132.2
[M-H]-	110.097524	126.0
[M+NH4]+	129.138623	151.2
[M+K]+	150.067958	131.2
[M+H-H2O]+	94.102060	119.6
[M+HCOO]-	156.103001	145.2
[M+CH3COO]-	170.118651	138.6
[M+Na-2H]-	132.079466	128.9
[M]+	111.10425142	122.4
[M]-	111.10534858	122.4

Literature stripe

literature stripe

Patent stripe

patents stripe