CID 80361672

1965309-14-1

Structural Information

Molecular Formula

C₇H₁₃N

SMILES

CNC1CC2(C1)CC2

InChI

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

InChIKey

QFJVTPIRNQGJEM-UHFFFAOYSA-N

Compound name

N-methylspiro[2.3]hexan-5-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 28
Patents: 111.1048 Da
Monoisotopic Mass: 1.3
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]+	112.11208	120.8
[M+Na]+	134.09402	128.6
[M-H]-	110.09752	127.9
[M+NH4]+	129.13862	134.8
[M+K]+	150.06796	130.4
[M+H-H2O]+	94.102060	111.8
[M+HCOO]-	156.10300	143.7
[M+CH3COO]-	170.11865	178.6
[M+Na-2H]-	132.07947	129.6
[M]+	111.10425	129.5
[M]-	111.10535	129.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe