CID 165470356

2138332-65-5

Structural Information

Molecular Formula

C₁₀H₁₃NO₂

SMILES

C1CC2CC1CC(C2)(C#N)C(=O)O

InChI

InChI=1S/C10H13NO2/c11-6-10(9(12)13)4-7-1-2-8(3-7)5-10/h7-8H,1-5H2,(H,12,13)

InChIKey

FZXKYHIVGAKHOR-UHFFFAOYSA-N

Compound name

3-cyanobicyclo[3.2.1]octane-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 179.09464 Da
Monoisotopic Mass: 1.9
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]+	180.101916	141.9
[M+Na]+	202.083858	151.4
[M-H]-	178.087364	143.4
[M+NH4]+	197.128463	164.3
[M+K]+	218.057798	145.5
[M+H-H2O]+	162.091900	131.8
[M+HCOO]-	224.092841	156.2
[M+CH3COO]-	238.108491	190.3
[M+Na-2H]-	200.069306	146.1
[M]+	179.09409142	133.9
[M]-	179.09518858	133.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.