CID 117274027

Spiro[4.4]nonan-2-amine

Structural Information

Molecular Formula

C₉H₁₇N

SMILES

C1CCC2(C1)CCC(C2)N

InChI

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

InChIKey

LKYKLTYURHMHGS-UHFFFAOYSA-N

Compound name

spiro[4.4]nonan-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 83
Patents: 139.1361 Da
Monoisotopic Mass: 2.3
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]+	140.143376	133.0
[M+Na]+	162.125318	138.2
[M-H]-	138.128824	137.6
[M+NH4]+	157.169923	159.5
[M+K]+	178.099258	136.2
[M+H-H2O]+	122.133360	127.9
[M+HCOO]-	184.134301	155.1
[M+CH3COO]-	198.149951	172.9
[M+Na-2H]-	160.110766	135.8
[M]+	139.13555142	125.3
[M]-	139.13664858	125.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe