CID 11615492

1033756-98-7

Structural Information

Molecular Formula

C₁₀H₁₉NO₂

SMILES

COC(=O)[C@@H]1CCCCCC[C@@H]1N

InChI

InChI=1S/C10H19NO2/c1-13-10(12)8-6-4-2-3-5-7-9(8)11/h8-9H,2-7,11H2,1H3/t8-,9+/m1/s1

InChIKey

FIFIYSYQCCIIQH-BDAKNGLRSA-N

Compound name

methyl (1R,2S)-2-aminocyclooctane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 185.14159 Da
Monoisotopic Mass: 2.2
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]+	186.14887	148.7
[M+Na]+	208.13081	152.4
[M-H]-	184.13431	150.1
[M+NH4]+	203.17541	157.4
[M+K]+	224.10475	153.1
[M+H-H2O]+	168.13885	145.2
[M+HCOO]-	230.13979	157.5
[M+CH3COO]-	244.15544	222.5
[M+Na-2H]-	206.11626	147.9
[M]+	185.14104	146.4
[M]-	185.14214	146.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe