CID 105434110

2727134-64-5

Structural Information

Molecular Formula

C₉H₁₅NO₂

SMILES

C1CCN(C1)C2CC(C2)C(=O)O

InChI

InChI=1S/C9H15NO2/c11-9(12)7-5-8(6-7)10-3-1-2-4-10/h7-8H,1-6H2,(H,11,12)

InChIKey

CTRZFVYPNFTCQL-UHFFFAOYSA-N

Compound name

3-pyrrolidin-1-ylcyclobutane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
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]+	170.117556	134.7
[M+Na]+	192.099498	138.4
[M-H]-	168.103004	138.0
[M+NH4]+	187.144103	148.0
[M+K]+	208.073438	140.1
[M+H-H2O]+	152.107540	123.6
[M+HCOO]-	214.108481	152.2
[M+CH3COO]-	228.124131	179.0
[M+Na-2H]-	190.084946	135.9
[M]+	169.10973142	138.8
[M]-	169.11082858	138.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe