CID 53485543

1956326-79-6

Structural Information

Molecular Formula

C₉H₁₇N

SMILES

C1CC2(C1)CCC(CC2)N

InChI

InChI=1S/C9H17N/c10-8-2-6-9(7-3-8)4-1-5-9/h8H,1-7,10H2

InChIKey

RYAOBOBRKJJPEE-UHFFFAOYSA-N

Compound name

spiro[3.5]nonan-7-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 45
Patents: 139.1361 Da
Monoisotopic Mass: 2.1
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]+	140.143376	129.1
[M+Na]+	162.125318	132.7
[M-H]-	138.128824	133.6
[M+NH4]+	157.169923	145.8
[M+K]+	178.099258	134.0
[M+H-H2O]+	122.133360	119.1
[M+HCOO]-	184.134301	148.0
[M+CH3COO]-	198.149951	178.2
[M+Na-2H]-	160.110766	134.9
[M]+	139.13555142	129.9
[M]-	139.13664858	129.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe