CID 65008723

1528564-50-2

Structural Information

Molecular Formula

C₇H₁₃N

SMILES

C1CC12CC(C2)CN

InChI

InChI=1S/C7H13N/c8-5-6-3-7(4-6)1-2-7/h6H,1-5,8H2

InChIKey

NOQWDJRJSISPHH-UHFFFAOYSA-N

Compound name

spiro[2.3]hexan-5-ylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 26
Patents: 111.1048 Da
Monoisotopic Mass: 1.0
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	121.2
[M+Na]+	134.09402	128.9
[M-H]-	110.09752	127.7
[M+NH4]+	129.13862	134.9
[M+K]+	150.06796	130.4
[M+H-H2O]+	94.102060	112.1
[M+HCOO]-	156.10300	143.4
[M+CH3COO]-	170.11865	177.9
[M+Na-2H]-	132.07947	128.9
[M]+	111.10425	128.9
[M]-	111.10535	128.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe