CID 75422256

6-cyanospiro[3.3]heptane-2-carboxylic acid

Structural Information

Molecular Formula

C₉H₁₁NO₂

SMILES

C1C(CC12CC(C2)C(=O)O)C#N

InChI

InChI=1S/C9H11NO2/c10-5-6-1-9(2-6)3-7(4-9)8(11)12/h6-7H,1-4H2,(H,11,12)

InChIKey

ADUDROSLTSCLAT-UHFFFAOYSA-N

Compound name

6-cyanospiro[3.3]heptane-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 165.07898 Da
Monoisotopic Mass: 0.6
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]+	166.08626	144.2
[M+Na]+	188.06820	145.4
[M+NH4]+	183.11280	143.0
[M+K]+	204.04214	140.3
[M-H]-	164.07170	134.3
[M+Na-2H]-	186.05365	142.3
[M]+	165.07843	138.9
[M]-	165.07953	138.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe