CID 2903

Cyclooctanamine

Structural Information

Molecular Formula

C₈H₁₇N

SMILES

C1CCCC(CCC1)N

InChI

InChI=1S/C8H17N/c9-8-6-4-2-1-3-5-7-8/h8H,1-7,9H2

InChIKey

HSOHBWMXECKEKV-UHFFFAOYSA-N

Compound name

cyclooctanamine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 7
References: 4698
Patents: 127.1361 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]+	128.143376	139.1
[M+Na]+	150.125318	142.8
[M-H]-	126.128824	140.5
[M+NH4]+	145.169923	148.8
[M+K]+	166.099258	143.4
[M+H-H2O]+	110.133360	135.9
[M+HCOO]-	172.134301	148.5
[M+CH3COO]-	186.149951	217.9
[M+Na-2H]-	148.110766	140.0
[M]+	127.13555142	135.9
[M]-	127.13664858	135.9

Literature stripe

literature stripe

Patent stripe

patents stripe