CID 68048077

2198585-33-8

Structural Information

Molecular Formula

C₁₀H₁₇NO₂

SMILES

COC(=O)C12CCCC(C1)(CC2)N

InChI

InChI=1S/C10H17NO2/c1-13-8(12)9-3-2-4-10(11,7-9)6-5-9/h2-7,11H2,1H3

InChIKey

QMFMSAHRXOTOMT-UHFFFAOYSA-N

Compound name

methyl 5-aminobicyclo[3.2.1]octane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 183.12593 Da
Monoisotopic Mass: 0.5
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]+	184.133206	142.0
[M+Na]+	206.115148	147.8
[M-H]-	182.118654	143.9
[M+NH4]+	201.159753	168.4
[M+K]+	222.089088	146.2
[M+H-H2O]+	166.123190	138.0
[M+HCOO]-	228.124131	160.7
[M+CH3COO]-	242.139781	181.3
[M+Na-2H]-	204.100596	147.8
[M]+	183.12538142	138.4
[M]-	183.12647858	138.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe