CID 14458496

90608-78-9

Structural Information

Molecular Formula

C₉H₁₅NO₂

SMILES

CN1C2CCC1CC(C2)C(=O)O

InChI

InChI=1S/C9H15NO2/c1-10-7-2-3-8(10)5-6(4-7)9(11)12/h6-8H,2-5H2,1H3,(H,11,12)

InChIKey

ZUUDDOTVLVEKRJ-UHFFFAOYSA-N

Compound name

8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 42
Patents: 169.11028 Da
Monoisotopic Mass: -1.4
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]+	170.11756	137.6
[M+Na]+	192.09950	144.0
[M-H]-	168.10300	137.4
[M+NH4]+	187.14410	159.6
[M+K]+	208.07344	142.1
[M+H-H2O]+	152.10754	132.6
[M+HCOO]-	214.10848	153.5
[M+CH3COO]-	228.12413	177.8
[M+Na-2H]-	190.08495	140.4
[M]+	169.10973	134.2
[M]-	169.11083	134.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe