CID 79421229

2241141-41-1

Structural Information

Molecular Formula

C₈H₁₁NO₂

SMILES

C#CCC1(CCNC1)C(=O)O

InChI

InChI=1S/C8H11NO2/c1-2-3-8(7(10)11)4-5-9-6-8/h1,9H,3-6H2,(H,10,11)

InChIKey

IFSHDLOJLDLZQD-UHFFFAOYSA-N

Compound name

3-prop-2-ynylpyrrolidine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 153.07898 Da
Monoisotopic Mass: -2.4
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]+	154.086256	135.1
[M+Na]+	176.068198	143.8
[M-H]-	152.071704	133.3
[M+NH4]+	171.112803	154.4
[M+K]+	192.042138	139.5
[M+H-H2O]+	136.076240	124.0
[M+HCOO]-	198.077181	148.0
[M+CH3COO]-	212.092831	177.9
[M+Na-2H]-	174.053646	137.8
[M]+	153.07843142	125.6
[M]-	153.07952858	125.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe